5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine

C13H17FN4 — CID 117038736

IUPAC5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
SMILESCc1cc(CN(C)Cc2cc(N)n[nH]2)ccc1F
InChIInChI=1S/C13H17FN4/c1-9-5-10(3-4-12(9)14)7-18(2)8-11-6-13(15)17-16-11/h3-6H,7-8H2,1-2H3,(H3,15,16,17)
InChIKeyOZTOSTSGLYALGQ-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.07
Rot. Bonds4

About 5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine

5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine (PubChem CID 117038736) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
PubChem CID117038736
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC Name5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
SMILESCc1cc(CN(C)Cc2cc(N)n[nH]2)ccc1F
InChIInChI=1S/C13H17FN4/c1-9-5-10(3-4-12(9)14)7-18(2)8-11-6-13(15)17-16-11/h3-6H,7-8H2,1-2H3,(H3,15,16,17)
InChIKeyOZTOSTSGLYALGQ-UHFFFAOYSA-N
XLogP2.07
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038750
5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038793
5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
CID 62503288
5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038795
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215694
N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202640
N-[(4-fluoro-3-methylphenyl)methyl]-N,2,2-trimethylbutane-1,4-diamine
CID 115204487
5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038777
1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine
CID 115205387
5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038615
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
CID 115230062
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147979

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine (CID 117038736) is 5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine is Cc1cc(CN(C)Cc2cc(N)n[nH]2)ccc1F.
What is the InChIKey of 5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine?
The InChIKey is OZTOSTSGLYALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-9-5-10(3-4-12(9)14)7-18(2)8-11-6-13(15)17-16-11/h3-6H,7-8H2,1-2H3,(H3,15,16,17).
What are the key properties of 5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine?
5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine has a molecular weight of 248.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117038736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).