1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide

C17H27N3O — CID 166199642

IUPAC1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide
SMILESC=CCCCC(C)NC(=O)c1cnn(C2CCCC2)c1C
InChIInChI=1S/C17H27N3O/c1-4-5-6-9-13(2)19-17(21)16-12-18-20(14(16)3)15-10-7-8-11-15/h4,12-13,15H,1,5-11H2,2-3H3,(H,19,21)
InChIKeyIJMKBKULRCIVHS-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.78
Rot. Bonds7

About 1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide

1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide (PubChem CID 166199642) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide
PubChem CID166199642
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide
SMILESC=CCCCC(C)NC(=O)c1cnn(C2CCCC2)c1C
InChIInChI=1S/C17H27N3O/c1-4-5-6-9-13(2)19-17(21)16-12-18-20(14(16)3)15-10-7-8-11-15/h4,12-13,15H,1,5-11H2,2-3H3,(H,19,21)
InChIKeyIJMKBKULRCIVHS-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
CID 126786160
1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 126793407
1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide
CID 126795413
1-cyclopentyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methylpyrazole-4-carboxamide
CID 99606970
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
(2S,3S)-3-methyl-2-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120517383
2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
CID 146107759
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737
(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone
CID 167946154
(1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 128988276
N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 146124298
N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
CID 126776876

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide (CID 166199642) is 1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide is C=CCCCC(C)NC(=O)c1cnn(C2CCCC2)c1C.
What is the InChIKey of 1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide?
The InChIKey is IJMKBKULRCIVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-5-6-9-13(2)19-17(21)16-12-18-20(14(16)3)15-10-7-8-11-15/h4,12-13,15H,1,5-11H2,2-3H3,(H,19,21).
What are the key properties of 1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide?
1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166199642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).