3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide

C18H25N3O — CID 33076349

IUPAC3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCCCC(C)C
InChIInChI=1S/C18H25N3O/c1-13(2)9-8-12-19-18(22)17-14(3)20-21(15(17)4)16-10-6-5-7-11-16/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,19,22)
InChIKeyRDRVYUMCHUBHPE-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.66
Rot. Bonds6

About 3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide

3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 33076349) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide
PubChem CID33076349
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCCCC(C)C
InChIInChI=1S/C18H25N3O/c1-13(2)9-8-12-19-18(22)17-14(3)20-21(15(17)4)16-10-6-5-7-11-16/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,19,22)
InChIKeyRDRVYUMCHUBHPE-UHFFFAOYSA-N
XLogP3.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134029697
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477685
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477748
N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 75461604
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
5-chloro-3-methyl-N-[(2S)-6-methylheptan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 2569570
N-[3-[benzyl(methyl)amino]propyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 31588579
3,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-phenylpyrazole-4-carboxamide
CID 9473008
1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 24712291

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide (CID 33076349) is 3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCCC(C)C.
What is the InChIKey of 3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is RDRVYUMCHUBHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13(2)9-8-12-19-18(22)17-14(3)20-21(15(17)4)16-10-6-5-7-11-16/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,19,22).
What are the key properties of 3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide?
3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 33076349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).