5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine

C10H9ClFN3O — CID 117356037

IUPAC5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(-c2cc(N)n[nH]2)ccc(F)c1Cl
InChIInChI=1S/C10H9ClFN3O/c1-16-10-5(2-3-6(12)9(10)11)7-4-8(13)15-14-7/h2-4H,1H3,(H3,13,14,15)
InChIKeyHGQKAJNBZPVEKD-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.46
Rot. Bonds2

About 5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine

5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 117356037) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID117356037
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(-c2cc(N)n[nH]2)ccc(F)c1Cl
InChIInChI=1S/C10H9ClFN3O/c1-16-10-5(2-3-6(12)9(10)11)7-4-8(13)15-14-7/h2-4H,1H3,(H3,13,14,15)
InChIKeyHGQKAJNBZPVEKD-UHFFFAOYSA-N
XLogP2.46
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine (CID 117356037) is 5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine is COc1c(-c2cc(N)n[nH]2)ccc(F)c1Cl.
What is the InChIKey of 5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is HGQKAJNBZPVEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-16-10-5(2-3-6(12)9(10)11)7-4-8(13)15-14-7/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 241.65 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117356037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).