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439121-02-5 | 4-cyclopropanecarbonyl-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS No: 439121-02-5 Catalog No: AG00IT0C MDL No:MFCD03012398
Product Description
Catalog Number:
AG00IT0C
Chemical Name:
4-cyclopropanecarbonyl-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS Number:
439121-02-5
Molecular Formula:
C15H18N4O2
Molecular Weight:
286.3290
MDL Number:
MFCD03012398
IUPAC Name:
4-(cyclopropanecarbonyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C15H18N4O2/c20-14(11-2-3-11)12-8-13(18-9-12)15(21)17-4-1-6-19-7-5-16-10-19/h5,7-11,18H,1-4,6H2,(H,17,21)
InChI Key:
DHRRREBNAPMKFW-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)C(=O)C1CC1)NCCCn1cncc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.335g/mol
Monoisotopic Mass:
286.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| 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 |
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