1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine

C18H31N3 — CID 64783907

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(N)(Cc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C18H31N3/c1-2-15-7-6-11-18(19,13-15)14-16-10-12-21(20-16)17-8-4-3-5-9-17/h10,12,15,17H,2-9,11,13-14,19H2,1H3
InChIKeyIYIOEKBXBYBCRW-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.23
Rot. Bonds4

About 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine

1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine (PubChem CID 64783907) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine
PubChem CID64783907
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(N)(Cc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C18H31N3/c1-2-15-7-6-11-18(19,13-15)14-16-10-12-21(20-16)17-8-4-3-5-9-17/h10,12,15,17H,2-9,11,13-14,19H2,1H3
InChIKeyIYIOEKBXBYBCRW-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 64785070
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine
CID 64784480
[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 65394733
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322
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-cyclopentylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114533961
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane
CID 79119222
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine (CID 64783907) is 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(N)(Cc2ccn(C3CCCCC3)n2)C1.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine?
The InChIKey is IYIOEKBXBYBCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-2-15-7-6-11-18(19,13-15)14-16-10-12-21(20-16)17-8-4-3-5-9-17/h10,12,15,17H,2-9,11,13-14,19H2,1H3.
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine?
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 64783907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).