1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C12H14FN3 — CID 19625004

IUPAC1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1nccc1CNCc1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-16-12(5-6-15-16)9-14-8-10-3-2-4-11(13)7-10/h2-7,14H,8-9H2,1H3
InChIKeyQJKALOVNFUNZJI-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.85
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 19625004) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID19625004
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1nccc1CNCc1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-16-12(5-6-15-16)9-14-8-10-3-2-4-11(13)7-10/h2-7,14H,8-9H2,1H3
InChIKeyQJKALOVNFUNZJI-UHFFFAOYSA-N
XLogP1.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126966920
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115282762
N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 55137874
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
1-[3-(3-methoxypropoxy)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 86867695
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126964694
N-[(3-bromophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694451
N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694342

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 19625004) is 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is Cn1nccc1CNCc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is QJKALOVNFUNZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-16-12(5-6-15-16)9-14-8-10-3-2-4-11(13)7-10/h2-7,14H,8-9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 219.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 19625004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).