[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine

C18H31N3 — CID 81011678

IUPAC[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Cc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C18H31N3/c1-14-7-8-15(13-19)16(11-14)12-17-9-10-21(20-17)18-5-3-2-4-6-18/h9-10,14-16,18H,2-8,11-13,19H2,1H3
InChIKeyJDRBVTUEEJLFEK-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.94
Rot. Bonds4

About [2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine

[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine (PubChem CID 81011678) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is [2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine
PubChem CID81011678
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Cc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C18H31N3/c1-14-7-8-15(13-19)16(11-14)12-17-9-10-21(20-17)18-5-3-2-4-6-18/h9-10,14-16,18H,2-8,11-13,19H2,1H3
InChIKeyJDRBVTUEEJLFEK-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-5-methylcyclohexyl)methyl]-1-cyclohexylpyrazole
CID 64778257
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine
CID 83195968
N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017300
3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64910526
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 64778611
4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190390
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64799940
4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine
CID 83196608
3-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-1-cyclopentylpyrazole
CID 64777285
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine (CID 81011678) is [2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(Cc2ccn(C3CCCCC3)n2)C1.
What is the InChIKey of [2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is JDRBVTUEEJLFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14-7-8-15(13-19)16(11-14)12-17-9-10-21(20-17)18-5-3-2-4-6-18/h9-10,14-16,18H,2-8,11-13,19H2,1H3.
What are the key properties of [2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine?
[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 289.47 g/mol, XLogP of 3.94, 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)methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81011678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).