(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine

C12H13F2N3 — CID 79522981

IUPAC(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1C(N)c1c(F)cccc1F
InChIInChI=1S/C12H13F2N3/c1-2-17-10(6-7-16-17)12(15)11-8(13)4-3-5-9(11)14/h3-7,12H,2,15H2,1H3
InChIKeyCCMRJFOLMYFXAQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.23
Rot. Bonds3

About (2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine

(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine (PubChem CID 79522981) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
PubChem CID79522981
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1C(N)c1c(F)cccc1F
InChIInChI=1S/C12H13F2N3/c1-2-17-10(6-7-16-17)12(15)11-8(13)4-3-5-9(11)14/h3-7,12H,2,15H2,1H3
InChIKeyCCMRJFOLMYFXAQ-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine 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 (2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The IUPAC name of (2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine (CID 79522981) is (2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for (2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine is CCn1nccc1C(N)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The InChIKey is CCMRJFOLMYFXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-2-17-10(6-7-16-17)12(15)11-8(13)4-3-5-9(11)14/h3-7,12H,2,15H2,1H3.
What are the key properties of (2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine has a molecular weight of 237.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 79522981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).