N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide

C18H16ClN3O — CID 850671

IUPACN-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccccc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C18H16ClN3O/c1-13-15(12-20-22(13)14-8-4-3-5-9-14)18(23)21(2)17-11-7-6-10-16(17)19/h3-12H,1-2H3
InChIKeyXVHANNFKVORIIM-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.11
Rot. Bonds3

About N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850671) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID850671
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccccc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C18H16ClN3O/c1-13-15(12-20-22(13)14-8-4-3-5-9-14)18(23)21(2)17-11-7-6-10-16(17)19/h3-12H,1-2H3
InChIKeyXVHANNFKVORIIM-UHFFFAOYSA-N
XLogP4.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
1-[5-methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]ethan-1-one
CID 2805459
hCB1 Inhibitor, 2{6,1,1}
CID 11475910
5-methyl-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850329
N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850330
N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850353
5-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 850355
N-(3,5-difluorophenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850668
N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850684
N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850704
N-(3-chlorophenyl)-1-ethyl-5-methyl-4-pyrazolecarboxamide
CID 832064

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 850671) is N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)c2ccccc2Cl)cnn1-c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is XVHANNFKVORIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-13-15(12-20-22(13)14-8-4-3-5-9-14)18(23)21(2)17-11-7-6-10-16(17)19/h3-12H,1-2H3.
What are the key properties of N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).