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

C12H14FN3 — CID 43124204

IUPAC2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(N)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C12H14FN3/c1-16-8-10(7-15-16)12(14)6-9-2-4-11(13)5-3-9/h2-5,7-8,12H,6,14H2,1H3
InChIKeyVGRMKHIHZFMJAM-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.80
Rot. Bonds3

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

2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 43124204) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID43124204
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(N)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C12H14FN3/c1-16-8-10(7-15-16)12(14)6-9-2-4-11(13)5-3-9/h2-5,7-8,12H,6,14H2,1H3
InChIKeyVGRMKHIHZFMJAM-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-benzyl-1H-pyrazol-4-amine
CID 206694
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
1-Benzyl-1H-pyrazole
CID 3546441
1-(2-phenylethyl)-1H-pyrazole
CID 11126737
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
1-methyl-4-phenyl-1H-pyrazol-5-amine
CID 2759980
((1-benzyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7131412

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine (CID 43124204) is 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(C(N)Cc2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is VGRMKHIHZFMJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-16-8-10(7-15-16)12(14)6-9-2-4-11(13)5-3-9/h2-5,7-8,12H,6,14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine?
2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 219.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 43124204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).