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1949836-86-5 | 2-(5-Cyclopropyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)acetonitrile
CAS No: 1949836-86-5 Catalog No: AG01FLU4 MDL No:MFCD28388811
Product Description
Catalog Number:
AG01FLU4
Chemical Name:
2-(5-Cyclopropyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)acetonitrile
CAS Number:
1949836-86-5
Molecular Formula:
C12H11N3S
Molecular Weight:
229.3008
MDL Number:
MFCD28388811
IUPAC Name:
2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
InChI:
InChI=1S/C12H11N3S/c13-5-6-15-11(9-3-4-9)8-10(14-15)12-2-1-7-16-12/h1-2,7-9H,3-4,6H2
InChI Key:
ZZOFCESMGSQAPC-UHFFFAOYSA-N
SMILES:
N#CCn1nc(cc1C1CC1)c1cccs1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.301g/mol
Monoisotopic Mass:
229.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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