N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

C13H12ClN3O — CID 39154401

IUPACN-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H12ClN3O/c14-9-2-1-3-10(6-9)15-13(18)12-7-11(16-17-12)8-4-5-8/h1-3,6-8H,4-5H2,(H,15,18)(H,16,17)
InChIKeyZVMVIQXGCHIIOT-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.19
Rot. Bonds3

About N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 39154401) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID39154401
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H12ClN3O/c14-9-2-1-3-10(6-9)15-13(18)12-7-11(16-17-12)8-4-5-8/h1-3,6-8H,4-5H2,(H,15,18)(H,16,17)
InChIKeyZVMVIQXGCHIIOT-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240713
N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244989
N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide
CID 112707531
5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 46582218
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112707582
3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541340
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 37043755
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 51057011
N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858828
5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 74235280

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 39154401) is N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZVMVIQXGCHIIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-9-2-1-3-10(6-9)15-13(18)12-7-11(16-17-12)8-4-5-8/h1-3,6-8H,4-5H2,(H,15,18)(H,16,17).
What are the key properties of N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 39154401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).