[3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine

C13H14FN3 — CID 139327240

IUPAC[3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)cc(-c2cnn(C3CC3)c2)c1
InChIInChI=1S/C13H14FN3/c14-12-4-9(6-15)3-10(5-12)11-7-16-17(8-11)13-1-2-13/h3-5,7-8,13H,1-2,6,15H2
InChIKeyHQIIFUPGSNBWHF-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.48
Rot. Bonds3

About [3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine

[3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine (PubChem CID 139327240) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is [3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine
PubChem CID139327240
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name[3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)cc(-c2cnn(C3CC3)c2)c1
InChIInChI=1S/C13H14FN3/c14-12-4-9(6-15)3-10(5-12)11-7-16-17(8-11)13-1-2-13/h3-5,7-8,13H,1-2,6,15H2
InChIKeyHQIIFUPGSNBWHF-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine 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

[3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine
CID 170765723
3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile
CID 172990840
3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile
CID 172990846
[3-[1-(4-bromo-2-methylsulfonylphenyl)pyrazol-4-yl]-5-fluorophenyl]methanamine
CID 170765757
3-(1-cyclopropylpyrazol-4-yl)-5-methoxyaniline
CID 171512227
4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 84735443
2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline
CID 171116031
3-chloro-5-(1-cyclopropylpyrazol-4-yl)benzonitrile
CID 172990998
3-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764974
3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521365
4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol
CID 171921837
1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole
CID 121383014

Frequently Asked Questions

What is the IUPAC name of [3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine (CID 139327240) is [3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine is NCc1cc(F)cc(-c2cnn(C3CC3)c2)c1.
What is the InChIKey of [3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine?
The InChIKey is HQIIFUPGSNBWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-12-4-9(6-15)3-10(5-12)11-7-16-17(8-11)13-1-2-13/h3-5,7-8,13H,1-2,6,15H2.
What are the key properties of [3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine?
[3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine has a molecular weight of 231.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 139327240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).