2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine

C17H22FN3 — CID 64785885

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccn(C3CCCC3)n2)cc1F
InChIInChI=1S/C17H22FN3/c1-12-6-7-13(10-16(12)18)17(19)11-14-8-9-21(20-14)15-4-2-3-5-15/h6-10,15,17H,2-5,11,19H2,1H3
InChIKeyHAXUVVZYJPRZCU-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.69
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine

2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 64785885) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID64785885
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccn(C3CCCC3)n2)cc1F
InChIInChI=1S/C17H22FN3/c1-12-6-7-13(10-16(12)18)17(19)11-14-8-9-21(20-14)15-4-2-3-5-15/h6-10,15,17H,2-5,11,19H2,1H3
InChIKeyHAXUVVZYJPRZCU-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993935
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678
2-(1-cyclopentylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethanamine
CID 104994002
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 64784343
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104994013
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79706176
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine (CID 64785885) is 2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(N)Cc2ccn(C3CCCC3)n2)cc1F.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is HAXUVVZYJPRZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-12-6-7-13(10-16(12)18)17(19)11-14-8-9-21(20-14)15-4-2-3-5-15/h6-10,15,17H,2-5,11,19H2,1H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine?
2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.69, 4 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-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 64785885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).