1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine

C12H14FN3 — CID 62488667

IUPAC1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1ccn(-c2ccc(C(C)N)cc2F)n1
InChIInChI=1S/C12H14FN3/c1-8-5-6-16(15-8)12-4-3-10(9(2)14)7-11(12)13/h3-7,9H,14H2,1-2H3
InChIKeyQRZVASVHZLDULT-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.34
Rot. Bonds2

About 1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine

1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 62488667) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
PubChem CID62488667
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1ccn(-c2ccc(C(C)N)cc2F)n1
InChIInChI=1S/C12H14FN3/c1-8-5-6-16(15-8)12-4-3-10(9(2)14)7-11(12)13/h3-7,9H,14H2,1-2H3
InChIKeyQRZVASVHZLDULT-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 590220
1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
1-Phenyl-3-propyl-pyrazole
CID 57320331
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
4-(1H-Pyrazol-1-yl)aniline
CID 594274
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine (CID 62488667) is 1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine is Cc1ccn(-c2ccc(C(C)N)cc2F)n1.
What is the InChIKey of 1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is QRZVASVHZLDULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-5-6-16(15-8)12-4-3-10(9(2)14)7-11(12)13/h3-7,9H,14H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine?
1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 62488667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).