N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C19H19N3O — CID 850901

IUPACN-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H19N3O/c1-3-15-9-11-16(12-10-15)21-19(23)18-13-20-22(14(18)2)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,21,23)
InChIKeyFILIKLOOCPINKT-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.00
Rot. Bonds4

About N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850901) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID850901
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H19N3O/c1-3-15-9-11-16(12-10-15)21-19(23)18-13-20-22(14(18)2)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,21,23)
InChIKeyFILIKLOOCPINKT-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 850901) is N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is CCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is FILIKLOOCPINKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-3-15-9-11-16(12-10-15)21-19(23)18-13-20-22(14(18)2)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).