2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine

C16H21FN4 — CID 79706176

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)c1ccc(F)cn1
InChIInChI=1S/C16H21FN4/c17-12-6-7-16(19-11-12)15(18)10-13-8-9-21(20-13)14-4-2-1-3-5-14/h6-9,11,14-15H,1-5,10,18H2
InChIKeyQEGRPFMYXWKYPG-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.16
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine

2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 79706176) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID79706176
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)c1ccc(F)cn1
InChIInChI=1S/C16H21FN4/c17-12-6-7-16(19-11-12)15(18)10-13-8-9-21(20-13)14-4-2-1-3-5-14/h6-9,11,14-15H,1-5,10,18H2
InChIKeyQEGRPFMYXWKYPG-UHFFFAOYSA-N
XLogP3.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-pyrazin-2-ylethanamine
CID 64786059
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
2-(1-cyclopentylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethanamine
CID 104994002
2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 64785855
2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64785885
1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104994013

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine (CID 79706176) is 2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine is NC(Cc1ccn(C2CCCCC2)n1)c1ccc(F)cn1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is QEGRPFMYXWKYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c17-12-6-7-16(19-11-12)15(18)10-13-8-9-21(20-13)14-4-2-1-3-5-14/h6-9,11,14-15H,1-5,10,18H2.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine?
2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 288.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 79706176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).