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

C18H16ClN3O — CID 850684

IUPACN-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccc(Cl)cc2)cnn1-c1ccccc1
InChIInChI=1S/C18H16ClN3O/c1-13-17(12-20-22(13)16-6-4-3-5-7-16)18(23)21(2)15-10-8-14(19)9-11-15/h3-12H,1-2H3
InChIKeyCVHARIKFYSCRKB-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.11
Rot. Bonds3

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

N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850684) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID850684
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccc(Cl)cc2)cnn1-c1ccccc1
InChIInChI=1S/C18H16ClN3O/c1-13-17(12-20-22(13)16-6-4-3-5-7-16)18(23)21(2)15-10-8-14(19)9-11-15/h3-12H,1-2H3
InChIKeyCVHARIKFYSCRKB-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 850684) is N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)c2ccc(Cl)cc2)cnn1-c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is CVHARIKFYSCRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-13-17(12-20-22(13)16-6-4-3-5-7-16)18(23)21(2)15-10-8-14(19)9-11-15/h3-12H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(4-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-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).