1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

C13H16FN3 — CID 103699779

IUPAC1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(F)c(CNCc2cn[nH]c2C)c1
InChIInChI=1S/C13H16FN3/c1-9-3-4-13(14)11(5-9)6-15-7-12-8-16-17-10(12)2/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyHZRCLRGVNZPGQK-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.46
Rot. Bonds4

About 1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 103699779) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID103699779
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(F)c(CNCc2cn[nH]c2C)c1
InChIInChI=1S/C13H16FN3/c1-9-3-4-13(14)11(5-9)6-15-7-12-8-16-17-10(12)2/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyHZRCLRGVNZPGQK-UHFFFAOYSA-N
XLogP2.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663705
1-(2-bromo-5-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 54902511
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 86776389
3-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 115909467
2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 55062757
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
N-[(2-fluoro-5-methylphenyl)methyl]but-2-yn-1-amine
CID 115866443
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 60761461
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 60762142
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 103699779) is 1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1ccc(F)c(CNCc2cn[nH]c2C)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is HZRCLRGVNZPGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-3-4-13(14)11(5-9)6-15-7-12-8-16-17-10(12)2/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 103699779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).