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

C17H22FN3 — CID 64785678

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)c1cccc(F)c1
InChIInChI=1S/C17H22FN3/c18-14-6-4-5-13(11-14)17(19)12-15-9-10-21(20-15)16-7-2-1-3-8-16/h4-6,9-11,16-17H,1-3,7-8,12,19H2
InChIKeyVNDURJZZUYYDEZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.77
Rot. Bonds4

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

2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine (PubChem CID 64785678) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
PubChem CID64785678
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)c1cccc(F)c1
InChIInChI=1S/C17H22FN3/c18-14-6-4-5-13(11-14)17(19)12-15-9-10-21(20-15)16-7-2-1-3-8-16/h4-6,9-11,16-17H,1-3,7-8,12,19H2
InChIKeyVNDURJZZUYYDEZ-UHFFFAOYSA-N
XLogP3.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine
CID 64784709
1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 64784343
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64785885
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79706176
2-(1-cyclopentylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethanamine
CID 104994002
1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993935
1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104994013
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994021

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine (CID 64785678) is 2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine is NC(Cc1ccn(C2CCCCC2)n1)c1cccc(F)c1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is VNDURJZZUYYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c18-14-6-4-5-13(11-14)17(19)12-15-9-10-21(20-15)16-7-2-1-3-8-16/h4-6,9-11,16-17H,1-3,7-8,12,19H2.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine?
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.77, 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-fluorophenyl)ethanamine is sourced from PubChem (CID 64785678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).