2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine

C12H14FN3 — CID 62136321

IUPAC2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccc(F)cc2C)n1
InChIInChI=1S/C12H14FN3/c1-8-5-11(13)4-3-10(8)7-16-12(14)6-9(2)15-16/h3-6H,7,14H2,1-2H3
InChIKeyGCCQEKLGHONZBC-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.27
Rot. Bonds2

About 2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine

2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 62136321) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID62136321
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccc(F)cc2C)n1
InChIInChI=1S/C12H14FN3/c1-8-5-11(13)4-3-10(8)7-16-12(14)6-9(2)15-16/h3-6H,7,14H2,1-2H3
InChIKeyGCCQEKLGHONZBC-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine 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

2-[(2-amino-4-fluorophenyl)methyl]-6-methylpyridazin-3-one
CID 64768629
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188301
1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 114349039
2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
CID 112617852
[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106717979
[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-fluorophenyl]boronic acid
CID 54970732
4-(chloromethyl)-3,5-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]pyrazole
CID 114349051
2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 56604539
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
5-[(4-fluoro-2-methylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 113411921
2-[[2-(aminomethyl)-4-fluorophenyl]methyl]-6-methylpyridazin-3-one
CID 63289759

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine (CID 62136321) is 2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)n(Cc2ccc(F)cc2C)n1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is GCCQEKLGHONZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-5-11(13)4-3-10(8)7-16-12(14)6-9(2)15-16/h3-6H,7,14H2,1-2H3.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine?
2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 219.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 62136321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).