3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide

C16H27N3O — CID 45106854

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide
SMILESCc1cc(C)n(C(C)CC(=O)NC2CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O/c1-11-5-7-15(8-6-11)17-16(20)10-14(4)19-13(3)9-12(2)18-19/h9,11,14-15H,5-8,10H2,1-4H3,(H,17,20)
InChIKeyHKBVSMSMSCLDJN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.15
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide (PubChem CID 45106854) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide
PubChem CID45106854
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide
SMILESCc1cc(C)n(C(C)CC(=O)NC2CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O/c1-11-5-7-15(8-6-11)17-16(20)10-14(4)19-13(3)9-12(2)18-19/h9,11,14-15H,5-8,10H2,1-4H3,(H,17,20)
InChIKeyHKBVSMSMSCLDJN-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Cyclohex-1-enyl-ethyl)-2-(3,5-dimethyl-pyrazol-1-yl)-acetamide
CID 3153925
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 856392
N-(2-cyclohex-1-en-1-ylethyl)-3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 5004965
2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
CID 5241859
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]acetamide
CID 16192290
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 19469143
1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24817602
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide
CID 35290161
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide
CID 51075402
N-({5-[(cis-4-aminocyclohexyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide dihydrochloride
CID 70736466
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide
CID 71808534

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide (CID 45106854) is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide is Cc1cc(C)n(C(C)CC(=O)NC2CCC(C)CC2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide?
The InChIKey is HKBVSMSMSCLDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-5-7-15(8-6-11)17-16(20)10-14(4)19-13(3)9-12(2)18-19/h9,11,14-15H,5-8,10H2,1-4H3,(H,17,20).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide has a molecular weight of 277.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide is sourced from PubChem (CID 45106854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).