2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine

C18H31N3 — CID 64778611

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)Cc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C18H31N3/c1-14-6-5-7-15(12-14)18(19)13-16-10-11-21(20-16)17-8-3-2-4-9-17/h10-11,14-15,17-18H,2-9,12-13,19H2,1H3
InChIKeyRHPOQSPVGBJIKG-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.08
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine

2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine (PubChem CID 64778611) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine
PubChem CID64778611
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)Cc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C18H31N3/c1-14-6-5-7-15(12-14)18(19)13-16-10-11-21(20-16)17-8-3-2-4-9-17/h10-11,14-15,17-18H,2-9,12-13,19H2,1H3
InChIKeyRHPOQSPVGBJIKG-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 104987899
2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020189
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79960425
2-cyclopentyl-3-(1-cyclopentylpyrazol-3-yl)propan-1-amine
CID 112569583
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973
N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine
CID 114899185
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
CID 64777634
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine (CID 64778611) is 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine is CC1CCCC(C(N)Cc2ccn(C3CCCCC3)n2)C1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is RHPOQSPVGBJIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14-6-5-7-15(12-14)18(19)13-16-10-11-21(20-16)17-8-3-2-4-9-17/h10-11,14-15,17-18H,2-9,12-13,19H2,1H3.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine?
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 289.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 64778611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).