1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine

C11H12FN3 — CID 150418601

IUPAC1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine
SMILESCNc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C11H12FN3/c1-13-11-6-14-15(8-11)7-9-2-4-10(12)5-3-9/h2-6,8,13H,7H2,1H3
InChIKeyHHHKMANMRIFJBW-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.11
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine

1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine (PubChem CID 150418601) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine
PubChem CID150418601
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine
SMILESCNc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C11H12FN3/c1-13-11-6-14-15(8-11)7-9-2-4-10(12)5-3-9/h2-6,8,13H,7H2,1H3
InChIKeyHHHKMANMRIFJBW-UHFFFAOYSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine (CID 150418601) is 1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine is CNc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine?
The InChIKey is HHHKMANMRIFJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-13-11-6-14-15(8-11)7-9-2-4-10(12)5-3-9/h2-6,8,13H,7H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine?
1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine has a molecular weight of 205.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-methylpyrazol-4-amine is sourced from PubChem (CID 150418601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).