1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide

C16H20ClN3O — CID 24712291

IUPAC1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1C(=O)NCC(C)C
InChIInChI=1S/C16H20ClN3O/c1-10(2)9-18-16(21)15-11(3)19-20(12(15)4)14-7-5-13(17)6-8-14/h5-8,10H,9H2,1-4H3,(H,18,21)
InChIKeyIJZXDKNWAKSZFL-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 24712291) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID24712291
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1C(=O)NCC(C)C
InChIInChI=1S/C16H20ClN3O/c1-10(2)9-18-16(21)15-11(3)19-20(12(15)4)14-7-5-13(17)6-8-14/h5-8,10H,9H2,1-4H3,(H,18,21)
InChIKeyIJZXDKNWAKSZFL-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide
CID 33076349
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
N-(2-anilino-3-methylbutyl)-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55859564
2-(4-chlorophenyl)-4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835780
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 46593202
1-(4-chlorophenyl)-N-(2-hydroxypropyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78856116
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78865661
1-[3-acetyl-1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanone
CID 16766692
1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46512755
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78884828

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide (CID 24712291) is 1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide is Cc1nn(-c2ccc(Cl)cc2)c(C)c1C(=O)NCC(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is IJZXDKNWAKSZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10(2)9-18-16(21)15-11(3)19-20(12(15)4)14-7-5-13(17)6-8-14/h5-8,10H,9H2,1-4H3,(H,18,21).
What are the key properties of 1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24712291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).