4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine

C15H27N3 — CID 104996040

IUPAC4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine
SMILESCc1cc(CC(N)CCC2CCCCC2)n(C)n1
InChIInChI=1S/C15H27N3/c1-12-10-15(18(2)17-12)11-14(16)9-8-13-6-4-3-5-7-13/h10,13-14H,3-9,11,16H2,1-2H3
InChIKeyIGBQAXIDXFLXET-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.96
Rot. Bonds5

About 4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine

4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine (PubChem CID 104996040) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine
PubChem CID104996040
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine
SMILESCc1cc(CC(N)CCC2CCCCC2)n(C)n1
InChIInChI=1S/C15H27N3/c1-12-10-15(18(2)17-12)11-14(16)9-8-13-6-4-3-5-7-13/h10,13-14H,3-9,11,16H2,1-2H3
InChIKeyIGBQAXIDXFLXET-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 114192965
4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 115580373
3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 114136949
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
CID 104996236
[1-(4-butylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315698
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105158554
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
CID 115811630
4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 104999122
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 112569707
2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105158662
[1-(2,5-dimethylpyrazol-3-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105315889

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine (CID 104996040) is 4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine is Cc1cc(CC(N)CCC2CCCCC2)n(C)n1.
What is the InChIKey of 4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine?
The InChIKey is IGBQAXIDXFLXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12-10-15(18(2)17-12)11-14(16)9-8-13-6-4-3-5-7-13/h10,13-14H,3-9,11,16H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine?
4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 104996040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).