N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

C14H14ClN3O — CID 40654834

IUPACN-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14ClN3O/c1-8-10(15)3-2-4-11(8)16-14(19)13-7-12(17-18-13)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyFXJHGVBKCSSDFV-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.50
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 40654834) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID40654834
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14ClN3O/c1-8-10(15)3-2-4-11(8)16-14(19)13-7-12(17-18-13)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyFXJHGVBKCSSDFV-UHFFFAOYSA-N
XLogP3.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508080
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 5308825
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 51057011
5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 46582218
N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087379
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(3-chloro-2-methylphenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319761
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 167942351
5-cyclopropyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 122151190
5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 91628921

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 40654834) is N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is FXJHGVBKCSSDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-10(15)3-2-4-11(8)16-14(19)13-7-12(17-18-13)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 40654834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).