N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide

C17H14ClFN4O — CID 71580233

IUPACN-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccnc(Cl)c2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-13-7-8-20-14(18)9-13)22-23(2)16(10)11-3-5-12(19)6-4-11/h3-9H,1-2H3,(H,20,21,24)
InChIKeyHHQNDKZHVIQITA-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.84
Rot. Bonds3

About N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide

N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide (PubChem CID 71580233) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
PubChem CID71580233
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC NameN-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccnc(Cl)c2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-13-7-8-20-14(18)9-13)22-23(2)16(10)11-3-5-12(19)6-4-11/h3-9H,1-2H3,(H,20,21,24)
InChIKeyHHQNDKZHVIQITA-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 46175112
N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
3-(4-{[(2-Chlorophenyl)carbamoyl]amino}-1h-Pyrazol-1-Yl)-N-(2-Methylpyridin-4-Yl)benzamide
CID 87057579
(3-chloro-5-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 137662068
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10694660
4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methylpyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 24798011
(2R,4R)-9-(2,4-difluorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 118720562
Aminopyrazole inhibitor, 4326
CID 70702010
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135453331
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide
CID 135523935
N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 135523938

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide (CID 71580233) is N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide is Cc1c(C(=O)Nc2ccnc(Cl)c2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The InChIKey is HHQNDKZHVIQITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-13-7-8-20-14(18)9-13)22-23(2)16(10)11-3-5-12(19)6-4-11/h3-9H,1-2H3,(H,20,21,24).
What are the key properties of N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide has a molecular weight of 344.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 71580233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).