2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol

C10H9ClFN3O — CID 117356077

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
SMILESCn1ncc(-c2cc(Cl)cc(F)c2O)c1N
InChIInChI=1S/C10H9ClFN3O/c1-15-10(13)7(4-14-15)6-2-5(11)3-8(12)9(6)16/h2-4,16H,13H2,1H3
InChIKeyICGWKJXWEONDGN-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.17
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol

2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol (PubChem CID 117356077) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
PubChem CID117356077
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
SMILESCn1ncc(-c2cc(Cl)cc(F)c2O)c1N
InChIInChI=1S/C10H9ClFN3O/c1-15-10(13)7(4-14-15)6-2-5(11)3-8(12)9(6)16/h2-4,16H,13H2,1H3
InChIKeyICGWKJXWEONDGN-UHFFFAOYSA-N
XLogP2.17
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol 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

2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
CID 117348202
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
3-(5-amino-1-methylpyrazol-4-yl)-5-bromobenzene-1,2-diol
CID 117456733
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320
2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
CID 117322755
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid
CID 117380458
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
3-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
CID 117348192

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol (CID 117356077) is 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol is Cn1ncc(-c2cc(Cl)cc(F)c2O)c1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol?
The InChIKey is ICGWKJXWEONDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-15-10(13)7(4-14-15)6-2-5(11)3-8(12)9(6)16/h2-4,16H,13H2,1H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol?
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol has a molecular weight of 241.65 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol is sourced from PubChem (CID 117356077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).