1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide

C21H23N3O — CID 112827142

IUPAC1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
SMILESCCCc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C21H23N3O/c1-3-7-17-10-12-19(13-11-17)23-21(25)20-14-22-24(16(20)2)15-18-8-5-4-6-9-18/h4-6,8-14H,3,7,15H2,1-2H3,(H,23,25)
InChIKeyLQKWWMQOQQAQHZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.44
Rot. Bonds6

About 1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide

1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide (PubChem CID 112827142) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
PubChem CID112827142
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
SMILESCCCc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C21H23N3O/c1-3-7-17-10-12-19(13-11-17)23-21(25)20-14-22-24(16(20)2)15-18-8-5-4-6-9-18/h4-6,8-14H,3,7,15H2,1-2H3,(H,23,25)
InChIKeyLQKWWMQOQQAQHZ-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 9225352
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide
CID 86934393
1-benzyl-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
CID 86875192
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119643220
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119643219
ethyl N-[6-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-1,3-benzothiazol-2-yl]carbamate
CID 86872439
1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide
CID 99817337
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
N-(3-aminobutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119498889

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide (CID 112827142) is 1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide is CCCc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2C)cc1.
What is the InChIKey of 1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide?
The InChIKey is LQKWWMQOQQAQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-7-17-10-12-19(13-11-17)23-21(25)20-14-22-24(16(20)2)15-18-8-5-4-6-9-18/h4-6,8-14H,3,7,15H2,1-2H3,(H,23,25).
What are the key properties of 1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide?
1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112827142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).