1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine

C11H12FN3 — CID 66752411

IUPAC1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine
SMILESCc1cccc(Cn2ccc(N)n2)c1F
InChIInChI=1S/C11H12FN3/c1-8-3-2-4-9(11(8)12)7-15-6-5-10(13)14-15/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyGCBBNLNXQPJCPZ-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.96
Rot. Bonds2

About 1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine

1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine (PubChem CID 66752411) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine
PubChem CID66752411
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine
SMILESCc1cccc(Cn2ccc(N)n2)c1F
InChIInChI=1S/C11H12FN3/c1-8-3-2-4-9(11(8)12)7-15-6-5-10(13)14-15/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyGCBBNLNXQPJCPZ-UHFFFAOYSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine (CID 66752411) is 1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine is Cc1cccc(Cn2ccc(N)n2)c1F.
What is the InChIKey of 1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine?
The InChIKey is GCBBNLNXQPJCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-8-3-2-4-9(11(8)12)7-15-6-5-10(13)14-15/h2-6H,7H2,1H3,(H2,13,14).
What are the key properties of 1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine?
1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine has a molecular weight of 205.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 66752411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).