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

C12H14ClN3O — CID 136942186

IUPAC2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol
SMILESCc1cc(Cl)c(O)c(-c2cc(N)n(C)n2)c1C
InChIInChI=1S/C12H14ClN3O/c1-6-4-8(13)12(17)11(7(6)2)9-5-10(14)16(3)15-9/h4-5,17H,14H2,1-3H3
InChIKeyRJDADCONJSAACG-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.65
Rot. Bonds1

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

2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol (PubChem CID 136942186) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol
PubChem CID136942186
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol
SMILESCc1cc(Cl)c(O)c(-c2cc(N)n(C)n2)c1C
InChIInChI=1S/C12H14ClN3O/c1-6-4-8(13)12(17)11(7(6)2)9-5-10(14)16(3)15-9/h4-5,17H,14H2,1-3H3
InChIKeyRJDADCONJSAACG-UHFFFAOYSA-N
XLogP2.65
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol
CID 136942179
1-(5-amino-1-methylpyrazol-3-yl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 136931996
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274
2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol
CID 137017167
4-(5-amino-1-methylpyrazol-3-yl)-2-bromo-3,5-dimethylphenol
CID 137003446
3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
CID 117309663
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
3-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazol-5-amine
CID 117402139
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol (CID 136942186) is 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol is Cc1cc(Cl)c(O)c(-c2cc(N)n(C)n2)c1C.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol?
The InChIKey is RJDADCONJSAACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-6-4-8(13)12(17)11(7(6)2)9-5-10(14)16(3)15-9/h4-5,17H,14H2,1-3H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol?
2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol has a molecular weight of 251.72 g/mol, XLogP of 2.65, 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)-6-chloro-3,4-dimethylphenol is sourced from PubChem (CID 136942186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).