N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine

C15H27N3 — CID 79619398

IUPACN-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
SMILESCCCNC1CCCC(n2nc(C)c(C)c2C)C1
InChIInChI=1S/C15H27N3/c1-5-9-16-14-7-6-8-15(10-14)18-13(4)11(2)12(3)17-18/h14-16H,5-10H2,1-4H3
InChIKeyIJPNVEKAXKHTFY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.29
Rot. Bonds4

About N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine

N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine (PubChem CID 79619398) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
PubChem CID79619398
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
SMILESCCCNC1CCCC(n2nc(C)c(C)c2C)C1
InChIInChI=1S/C15H27N3/c1-5-9-16-14-7-6-8-15(10-14)18-13(4)11(2)12(3)17-18/h14-16H,5-10H2,1-4H3
InChIKeyIJPNVEKAXKHTFY-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
CID 79619504
3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine
CID 79642762
3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79630966
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
9-(3,5-dimethyl-1H-pyrazol-4-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714531
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714500
9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714544
N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine
CID 55088429
3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine
CID 79598709
1-N-propylcyclohexane-1,3-diamine
CID 22026573
3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 64722413

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
The IUPAC name of N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine (CID 79619398) is N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine is CCCNC1CCCC(n2nc(C)c(C)c2C)C1.
What is the InChIKey of N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
The InChIKey is IJPNVEKAXKHTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-9-16-14-7-6-8-15(10-14)18-13(4)11(2)12(3)17-18/h14-16H,5-10H2,1-4H3.
What are the key properties of N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 79619398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).