[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine

C18H31N3 — CID 65394733

IUPAC[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C18H31N3/c1-2-15-7-10-18(14-19,11-8-15)13-16-9-12-21(20-16)17-5-3-4-6-17/h9,12,15,17H,2-8,10-11,13-14,19H2,1H3
InChIKeyTXFAFFKFQSZHSG-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.09
Rot. Bonds5

About [1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine

[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine (PubChem CID 65394733) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is [1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine
PubChem CID65394733
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C18H31N3/c1-2-15-7-10-18(14-19,11-8-15)13-16-9-12-21(20-16)17-5-3-4-6-17/h9,12,15,17H,2-8,10-11,13-14,19H2,1H3
InChIKeyTXFAFFKFQSZHSG-UHFFFAOYSA-N
XLogP4.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine
CID 64784480
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine
CID 64783907
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026217
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
[3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114533961
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393519

Frequently Asked Questions

What is the IUPAC name of [1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine (CID 65394733) is [1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of [1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine?
The InChIKey is TXFAFFKFQSZHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-2-15-7-10-18(14-19,11-8-15)13-16-9-12-21(20-16)17-5-3-4-6-17/h9,12,15,17H,2-8,10-11,13-14,19H2,1H3.
What are the key properties of [1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine?
[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine has a molecular weight of 289.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 65394733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).