4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide

C15H14ClFN6O — CID 19477053

IUPAC4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ncn(Cc3ccccc3F)n2)c1Cl
InChIInChI=1S/C15H14ClFN6O/c1-9-12(16)13(22(2)20-9)14(24)19-15-18-8-23(21-15)7-10-5-3-4-6-11(10)17/h3-6,8H,7H2,1-2H3,(H,19,21,24)
InChIKeyIXDWIMSHSPWUJS-UHFFFAOYSA-N
MW348.77 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19477053) has the molecular formula C15H14ClFN6O and a molecular weight of 348.77 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19477053
Molecular FormulaC15H14ClFN6O
Molecular Weight348.77 g/mol
Exact Mass348.09
IUPAC Name4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ncn(Cc3ccccc3F)n2)c1Cl
InChIInChI=1S/C15H14ClFN6O/c1-9-12(16)13(22(2)20-9)14(24)19-15-18-8-23(21-15)7-10-5-3-4-6-11(10)17/h3-6,8H,7H2,1-2H3,(H,19,21,24)
InChIKeyIXDWIMSHSPWUJS-UHFFFAOYSA-N
XLogP2.41
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475945
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 19589569
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19516666
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19270619
4-chloro-N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477019
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508284
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552154
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 998871
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19526889
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482227
2-(1,3-dimethylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19511903
1-butyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide (CID 19477053) is 4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2ncn(Cc3ccccc3F)n2)c1Cl.
What is the InChIKey of 4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is IXDWIMSHSPWUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN6O/c1-9-12(16)13(22(2)20-9)14(24)19-15-18-8-23(21-15)7-10-5-3-4-6-11(10)17/h3-6,8H,7H2,1-2H3,(H,19,21,24).
What are the key properties of 4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 348.77 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19477053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).