N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide

C13H14ClN3O — CID 86908026

IUPACN-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cnn(C)c1
InChIInChI=1S/C13H14ClN3O/c1-16(8-10-3-5-12(14)6-4-10)13(18)11-7-15-17(2)9-11/h3-7,9H,8H2,1-2H3
InChIKeyNJEYNPBTDIGGLV-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.35
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide

N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 86908026) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID86908026
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cnn(C)c1
InChIInChI=1S/C13H14ClN3O/c1-16(8-10-3-5-12(14)6-4-10)13(18)11-7-15-17(2)9-11/h3-7,9H,8H2,1-2H3
InChIKeyNJEYNPBTDIGGLV-UHFFFAOYSA-N
XLogP2.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide
CID 39969648
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
N,1-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 86924886
N-[[4-(difluoromethylsulfanyl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 49225172
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
(4-chlorophenyl)methyl 1-methylpyrazole-4-carboxylate
CID 55425804
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 31844671
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide (CID 86908026) is N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)c1cnn(C)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is NJEYNPBTDIGGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-16(8-10-3-5-12(14)6-4-10)13(18)11-7-15-17(2)9-11/h3-7,9H,8H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 86908026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).