N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide

C16H14ClF2N5O — CID 46996971

IUPACN-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESCc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)c1ccnn1C(F)F
InChIInChI=1S/C16H14ClF2N5O/c1-10-8-21-23(9-11-2-4-12(17)5-3-11)14(10)22-15(25)13-6-7-20-24(13)16(18)19/h2-8,16H,9H2,1H3,(H,22,25)
InChIKeySXJKFDCRHFFMCE-UHFFFAOYSA-N
MW365.77 g/mol
LogP3.74
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 46996971) has the molecular formula C16H14ClF2N5O and a molecular weight of 365.77 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID46996971
Molecular FormulaC16H14ClF2N5O
Molecular Weight365.77 g/mol
Exact Mass365.09
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESCc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)c1ccnn1C(F)F
InChIInChI=1S/C16H14ClF2N5O/c1-10-8-21-23(9-11-2-4-12(17)5-3-11)14(10)22-15(25)13-6-7-20-24(13)16(18)19/h2-8,16H,9H2,1H3,(H,22,25)
InChIKeySXJKFDCRHFFMCE-UHFFFAOYSA-N
XLogP3.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1-(2,4-difluorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768479
3-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 651147
4-chloro-1-methyl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-pyrazolecarboxamide
CID 1223565
4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide
CID 165415040
4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415319
[5-(4-Chloro-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimid
CID 3134058
N-[2-(2,4-Dichlorophenyl)ethyl]1-(2,4-difluorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482272
N-(4-Chlorophenyl)1-(2,4-difluorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482277
N-(4-Chlorobenzyl)1-(2,4-difluorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482278
N-(4-Chlorobenzyl)1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 45482309
N-[2-(4-Chlorophenyl)ethyl]1-(2,4-difluorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482312
1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl-1H-pyrazol-3-yl)-1H-pyrazole-4-carboxamide
CID 53324215

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide (CID 46996971) is N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide is Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)c1ccnn1C(F)F.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is SXJKFDCRHFFMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N5O/c1-10-8-21-23(9-11-2-4-12(17)5-3-11)14(10)22-15(25)13-6-7-20-24(13)16(18)19/h2-8,16H,9H2,1H3,(H,22,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 365.77 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46996971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).