2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol

C10H9ClFN3O — CID 136952320

IUPAC2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
SMILESCn1nc(-c2cc(Cl)cc(F)c2O)cc1N
InChIInChI=1S/C10H9ClFN3O/c1-15-9(13)4-8(14-15)6-2-5(11)3-7(12)10(6)16/h2-4,16H,13H2,1H3
InChIKeyODXRVKRDEBLWAN-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.17
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol

2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol (PubChem CID 136952320) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
PubChem CID136952320
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
SMILESCn1nc(-c2cc(Cl)cc(F)c2O)cc1N
InChIInChI=1S/C10H9ClFN3O/c1-15-9(13)4-8(14-15)6-2-5(11)3-7(12)10(6)16/h2-4,16H,13H2,1H3
InChIKeyODXRVKRDEBLWAN-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

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Related Compounds

3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol
CID 136942215
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
CID 117356077
3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112010
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117378006
7-(5-amino-1-methylpyrazol-3-yl)-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 137004842
3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464618
5-(5-chloro-3-fluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136992126
4-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-1,3-benzodioxol-5-ol
CID 136942160
2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol
CID 136942216
2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol
CID 136942179

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol (CID 136952320) is 2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol is Cn1nc(-c2cc(Cl)cc(F)c2O)cc1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol?
The InChIKey is ODXRVKRDEBLWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-15-9(13)4-8(14-15)6-2-5(11)3-7(12)10(6)16/h2-4,16H,13H2,1H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol?
2-(5-amino-1-methylpyrazol-3-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-3-yl)-4-chloro-6-fluorophenol is sourced from PubChem (CID 136952320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).