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

C18H31N3 — CID 65399634

IUPAC1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)C1CCCCCC1
InChIInChI=1S/C18H31N3/c19-18(15-8-4-1-2-5-9-15)14-16-12-13-21(20-16)17-10-6-3-7-11-17/h12-13,15,17-18H,1-11,14,19H2
InChIKeyFURDAHLSBKHFPK-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.23
Rot. Bonds4

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

1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine (PubChem CID 65399634) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
PubChem CID65399634
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)C1CCCCCC1
InChIInChI=1S/C18H31N3/c19-18(15-8-4-1-2-5-9-15)14-16-12-13-21(20-16)17-10-6-3-7-11-17/h12-13,15,17-18H,1-11,14,19H2
InChIKeyFURDAHLSBKHFPK-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

2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 64778611
2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020189
2-cyclopentyl-3-(1-cyclopentylpyrazol-3-yl)propan-1-amine
CID 112569583
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79960425
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 104987899
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine (CID 65399634) is 1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine is NC(Cc1ccn(C2CCCCC2)n1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine?
The InChIKey is FURDAHLSBKHFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c19-18(15-8-4-1-2-5-9-15)14-16-12-13-21(20-16)17-10-6-3-7-11-17/h12-13,15,17-18H,1-11,14,19H2.
What are the key properties of 1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine?
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine 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-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65399634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).