4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide

C17H29N3O — CID 71847290

IUPAC4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide
SMILESCc1cc(CC(C)NC(=O)CCCC2CCCCC2)n[nH]1
InChIInChI=1S/C17H29N3O/c1-13(11-16-12-14(2)19-20-16)18-17(21)10-6-9-15-7-4-3-5-8-15/h12-13,15H,3-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXGCUMMYJPPYYKX-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.52
Rot. Bonds7

About 4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide

4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide (PubChem CID 71847290) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide
PubChem CID71847290
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide
SMILESCc1cc(CC(C)NC(=O)CCCC2CCCCC2)n[nH]1
InChIInChI=1S/C17H29N3O/c1-13(11-16-12-14(2)19-20-16)18-17(21)10-6-9-15-7-4-3-5-8-15/h12-13,15H,3-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXGCUMMYJPPYYKX-UHFFFAOYSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide
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4-cyclohexyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
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1-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide
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1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide
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(3S)-1-(azepan-1-yl)-3-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]butan-1-one
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3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
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1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide
CID 154840231
N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide
CID 131924683
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide (CID 71847290) is 4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide is Cc1cc(CC(C)NC(=O)CCCC2CCCCC2)n[nH]1.
What is the InChIKey of 4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide?
The InChIKey is XGCUMMYJPPYYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(11-16-12-14(2)19-20-16)18-17(21)10-6-9-15-7-4-3-5-8-15/h12-13,15H,3-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide?
4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide has a molecular weight of 291.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butanamide is sourced from PubChem (CID 71847290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).