1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine

C12H14FN3 — CID 19618962

IUPAC1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1ccc(CNCc2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3/c1-16-7-6-12(15-16)9-14-8-10-2-4-11(13)5-3-10/h2-7,14H,8-9H2,1H3
InChIKeyYMLZJWMMHLHDBE-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.85
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine

1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 19618962) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
PubChem CID19618962
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1ccc(CNCc2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3/c1-16-7-6-12(15-16)9-14-8-10-2-4-11(13)5-3-10/h2-7,14H,8-9H2,1H3
InChIKeyYMLZJWMMHLHDBE-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

Analyze 1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 122168541
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882472
N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine
CID 82872963
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78921126
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166525
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 19627468
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166526
N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 19618959
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
N-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626931

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine (CID 19618962) is 1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine is Cn1ccc(CNCc2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is YMLZJWMMHLHDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-16-7-6-12(15-16)9-14-8-10-2-4-11(13)5-3-10/h2-7,14H,8-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(1-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-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 19618962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).