2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine

C16H19F2N3 — CID 79515283

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1c(F)cccc1F
InChIInChI=1S/C16H19F2N3/c17-13-6-3-7-14(18)16(13)15(19)10-11-8-9-21(20-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,19H2
InChIKeyHWYBEODBYNMSDE-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.52
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine

2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine (PubChem CID 79515283) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
PubChem CID79515283
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1c(F)cccc1F
InChIInChI=1S/C16H19F2N3/c17-13-6-3-7-14(18)16(13)15(19)10-11-8-9-21(20-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,19H2
InChIKeyHWYBEODBYNMSDE-UHFFFAOYSA-N
XLogP3.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104994013
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994021
2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64785885
2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79706176
2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine
CID 64784709
1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 64784343
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
2-(1-cyclopentylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethanamine
CID 104994002
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine (CID 79515283) is 2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine is NC(Cc1ccn(C2CCCC2)n1)c1c(F)cccc1F.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine?
The InChIKey is HWYBEODBYNMSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c17-13-6-3-7-14(18)16(13)15(19)10-11-8-9-21(20-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,19H2.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine?
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.52, 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-(2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 79515283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).