N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

C19H18ClN3O — CID 2747052

IUPACN-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C)cc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O/c1-13-3-5-15(6-4-13)12-23-18(11-14(2)22-23)19(24)21-17-9-7-16(20)8-10-17/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeySMYCVOZVZYQMFD-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.45
Rot. Bonds4

About N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 2747052) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID2747052
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C)cc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O/c1-13-3-5-15(6-4-13)12-23-18(11-14(2)22-23)19(24)21-17-9-7-16(20)8-10-17/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeySMYCVOZVZYQMFD-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (CID 2747052) is N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is Cc1ccc(Cn2nc(C)cc2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is SMYCVOZVZYQMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-13-3-5-15(6-4-13)12-23-18(11-14(2)22-23)19(24)21-17-9-7-16(20)8-10-17/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 2747052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).