N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C22H23N3O — CID 24625944

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(NC(=O)c2cnn(-c3ccccc3)c2C)C2CC2)cc1
InChIInChI=1S/C22H23N3O/c1-15-8-10-17(11-9-15)21(18-12-13-18)24-22(26)20-14-23-25(16(20)2)19-6-4-3-5-7-19/h3-11,14,18,21H,12-13H2,1-2H3,(H,24,26)
InChIKeyHADAVRQPRJVAFC-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.37
Rot. Bonds5

About N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 24625944) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID24625944
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(NC(=O)c2cnn(-c3ccccc3)c2C)C2CC2)cc1
InChIInChI=1S/C22H23N3O/c1-15-8-10-17(11-9-15)21(18-12-13-18)24-22(26)20-14-23-25(16(20)2)19-6-4-3-5-7-19/h3-11,14,18,21H,12-13H2,1-2H3,(H,24,26)
InChIKeyHADAVRQPRJVAFC-UHFFFAOYSA-N
XLogP4.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopropyl(phenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36860846
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759168
6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119179983
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34464052
N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 51295877
2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid
CID 119213639
5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 51927508
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 60554934
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 86975241
N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 47016466
cis-(1S,2R)-2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146107820
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 24625944) is N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1ccc(C(NC(=O)c2cnn(-c3ccccc3)c2C)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is HADAVRQPRJVAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-8-10-17(11-9-15)21(18-12-13-18)24-22(26)20-14-23-25(16(20)2)19-6-4-3-5-7-19/h3-11,14,18,21H,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24625944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).