2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine

C17H22FN3 — CID 64785855

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccn(C2CCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3/c1-19-17(13-6-8-14(18)9-7-13)12-15-10-11-21(20-15)16-4-2-3-5-16/h6-11,16-17,19H,2-5,12H2,1H3
InChIKeyVLSBNOZOIOTTPT-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.64
Rot. Bonds5

About 2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine

2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine (PubChem CID 64785855) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine
PubChem CID64785855
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccn(C2CCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3/c1-19-17(13-6-8-14(18)9-7-13)12-15-10-11-21(20-15)16-4-2-3-5-16/h6-11,16-17,19H,2-5,12H2,1H3
InChIKeyVLSBNOZOIOTTPT-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777224
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157078
2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 64786076
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696
2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107975620
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105157013
1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785500
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105157026
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107189365
2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79706176
1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79954390

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine (CID 64785855) is 2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccn(C2CCCC2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is VLSBNOZOIOTTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-19-17(13-6-8-14(18)9-7-13)12-15-10-11-21(20-15)16-4-2-3-5-16/h6-11,16-17,19H,2-5,12H2,1H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine?
2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 64785855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).