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890590-91-7 | 3-ISOPROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
CAS No: 890590-91-7 Catalog No: AG0041D1 MDL No:MFCD02224142
Product Description
Catalog Number:
AG0041D1
Chemical Name:
3-ISOPROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
CAS Number:
890590-91-7
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD02224142
IUPAC Name:
5-propan-2-yl-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChI Key:
CHWXKAHFWLSLOQ-UHFFFAOYSA-N
SMILES:
CC(c1n[nH]c(c1)C(=O)O)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a. | Bioorganic & medicinal chemistry letters 20071015 |
| Agonist lead identification for the high affinity niacin receptor GPR109a. | Bioorganic & medicinal chemistry letters 20070901 |
| Nicotinic acid receptor agonists differentially activate downstream effectors. | The Journal of biological chemistry 20070622 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Pyrazole derivatives as partial agonists for the nicotinic acid receptor. | Journal of medicinal chemistry 20030828 |
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