1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine

C12H14FN3 — CID 107522751

IUPAC1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine
SMILESCc1ccn(CC(N)c2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3/c1-9-6-7-16(15-9)8-12(14)10-2-4-11(13)5-3-10/h2-7,12H,8,14H2,1H3
InChIKeyZKORSCMSJMXUHC-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine

1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine (PubChem CID 107522751) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine
PubChem CID107522751
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine
SMILESCc1ccn(CC(N)c2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3/c1-9-6-7-16(15-9)8-12(14)10-2-4-11(13)5-3-10/h2-7,12H,8,14H2,1H3
InChIKeyZKORSCMSJMXUHC-UHFFFAOYSA-N
XLogP2.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
MK-1925
CID 44178080
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-(4-Fluorobenzyl)-1H-pyrazol-3-amine
CID 573281
1-benzyl-1H-pyrazol-4-amine
CID 206694

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine (CID 107522751) is 1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine is Cc1ccn(CC(N)c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine?
The InChIKey is ZKORSCMSJMXUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9-6-7-16(15-9)8-12(14)10-2-4-11(13)5-3-10/h2-7,12H,8,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine?
1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 107522751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).