1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide

C21H22ClN3O — CID 9225352

IUPAC1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
SMILESCCCc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1
InChIInChI=1S/C21H22ClN3O/c1-3-7-16-10-12-18(13-11-16)23-21(26)19-15(2)24-25(20(19)22)14-17-8-5-4-6-9-17/h4-6,8-13H,3,7,14H2,1-2H3,(H,23,26)
InChIKeyGISUHFRLWSEAFS-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.10
Rot. Bonds6

About 1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide

1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide (PubChem CID 9225352) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
PubChem CID9225352
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
SMILESCCCc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1
InChIInChI=1S/C21H22ClN3O/c1-3-7-16-10-12-18(13-11-16)23-21(26)19-15(2)24-25(20(19)22)14-17-8-5-4-6-9-17/h4-6,8-13H,3,7,14H2,1-2H3,(H,23,26)
InChIKeyGISUHFRLWSEAFS-UHFFFAOYSA-N
XLogP5.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
N-[4-(azepan-1-yl)phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 9279016
1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55796545
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55812614
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
methyl 2-[[4-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396902
1-benzyl-5-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methylpyrazole-4-carboxamide
CID 32942611
1-benzyl-5-chloro-N-(3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9042502
N-[4-(carbamoylamino)phenyl]-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 33155398
1-benzyl-5-chloro-3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 56559070

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide (CID 9225352) is 1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide is CCCc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1.
What is the InChIKey of 1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide?
The InChIKey is GISUHFRLWSEAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-3-7-16-10-12-18(13-11-16)23-21(26)19-15(2)24-25(20(19)22)14-17-8-5-4-6-9-17/h4-6,8-13H,3,7,14H2,1-2H3,(H,23,26).
What are the key properties of 1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide?
1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 9225352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).