N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide

C15H13ClFN5O — CID 119052065

IUPACN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1n[nH]c(C)c1Cl
InChIInChI=1S/C15H13ClFN5O/c1-8-7-22(11-5-3-10(17)4-6-11)21-13(8)15(23)18-14-12(16)9(2)19-20-14/h3-7H,1-2H3,(H2,18,19,20,23)
InChIKeyNLJFNWXKRSTMTJ-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.26
Rot. Bonds3

About N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide

N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide (PubChem CID 119052065) has the molecular formula C15H13ClFN5O and a molecular weight of 333.75 g/mol. Its IUPAC name is N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide
PubChem CID119052065
Molecular FormulaC15H13ClFN5O
Molecular Weight333.75 g/mol
Exact Mass333.08
IUPAC NameN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1n[nH]c(C)c1Cl
InChIInChI=1S/C15H13ClFN5O/c1-8-7-22(11-5-3-10(17)4-6-11)21-13(8)15(23)18-14-12(16)9(2)19-20-14/h3-7H,1-2H3,(H2,18,19,20,23)
InChIKeyNLJFNWXKRSTMTJ-UHFFFAOYSA-N
XLogP3.26
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid
CID 129470152
(2R)-4,4,4-trifluoro-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]butanoic acid
CID 129468244
N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide
CID 130684951
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
CID 25284371
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide
CID 115610229
1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride
CID 170911525
4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide
CID 166238411
1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 154461777
N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 166201146
2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide
CID 115609989
4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide
CID 112547954

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide (CID 119052065) is N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide is Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1n[nH]c(C)c1Cl.
What is the InChIKey of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is NLJFNWXKRSTMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O/c1-8-7-22(11-5-3-10(17)4-6-11)21-13(8)15(23)18-14-12(16)9(2)19-20-14/h3-7H,1-2H3,(H2,18,19,20,23).
What are the key properties of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide?
N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 333.75 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 119052065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).