1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide

C18H14ClF2N3O — CID 55871766

IUPAC1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H14ClF2N3O/c1-23(10-12-5-6-15(20)8-17(12)21)18(25)13-9-22-24(11-13)16-4-2-3-14(19)7-16/h2-9,11H,10H2,1H3
InChIKeyYRTXUAPEFPAXDD-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.08
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide (PubChem CID 55871766) has the molecular formula C18H14ClF2N3O and a molecular weight of 361.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide
PubChem CID55871766
Molecular FormulaC18H14ClF2N3O
Molecular Weight361.78 g/mol
Exact Mass361.08
IUPAC Name1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H14ClF2N3O/c1-23(10-12-5-6-15(20)8-17(12)21)18(25)13-9-22-24(11-13)16-4-2-3-14(19)7-16/h2-9,11H,10H2,1H3
InChIKeyYRTXUAPEFPAXDD-UHFFFAOYSA-N
XLogP4.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 129051125
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200852
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053
1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide
CID 55974960
1-(3-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 55875521
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid
CID 119195523
2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55730341
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61040897

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide (CID 55871766) is 1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide?
The InChIKey is YRTXUAPEFPAXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O/c1-23(10-12-5-6-15(20)8-17(12)21)18(25)13-9-22-24(11-13)16-4-2-3-14(19)7-16/h2-9,11H,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide has a molecular weight of 361.78 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55871766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).