1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide

C19H21N5O — CID 138020489

IUPAC1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1cccc(-c2c(NC(=O)c3cnn(C4CCC4)c3)n[nH]c2C)c1
InChIInChI=1S/C19H21N5O/c1-12-5-3-6-14(9-12)17-13(2)22-23-18(17)21-19(25)15-10-20-24(11-15)16-7-4-8-16/h3,5-6,9-11,16H,4,7-8H2,1-2H3,(H2,21,22,23,25)
InChIKeyCPCDVMLNSRROIT-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.87
Rot. Bonds4

About 1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide

1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (PubChem CID 138020489) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
PubChem CID138020489
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1cccc(-c2c(NC(=O)c3cnn(C4CCC4)c3)n[nH]c2C)c1
InChIInChI=1S/C19H21N5O/c1-12-5-3-6-14(9-12)17-13(2)22-23-18(17)21-19(25)15-10-20-24(11-15)16-7-4-8-16/h3,5-6,9-11,16H,4,7-8H2,1-2H3,(H2,21,22,23,25)
InChIKeyCPCDVMLNSRROIT-UHFFFAOYSA-N
XLogP3.87
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197830
2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197846
N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 53197836
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide
CID 167784209
1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166193415
1-cyclopentyl-N-(1H-indol-3-yl)pyrazole-4-carboxamide
CID 154652767
1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide
CID 154789264
3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565038
3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide
CID 46899010
1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 136564835
3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428025

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (CID 138020489) is 1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is Cc1cccc(-c2c(NC(=O)c3cnn(C4CCC4)c3)n[nH]c2C)c1.
What is the InChIKey of 1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is CPCDVMLNSRROIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-5-3-6-14(9-12)17-13(2)22-23-18(17)21-19(25)15-10-20-24(11-15)16-7-4-8-16/h3,5-6,9-11,16H,4,7-8H2,1-2H3,(H2,21,22,23,25).
What are the key properties of 1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 138020489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).