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

C12H14ClN3O — CID 136942179

IUPAC2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2cc(N)n(C)n2)c(O)c1Cl
InChIInChI=1S/C12H14ClN3O/c1-6-4-7(2)11(13)12(17)10(6)8-5-9(14)16(3)15-8/h4-5,17H,14H2,1-3H3
InChIKeyPRALAEWOUVEFEH-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.65
Rot. Bonds1

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

2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol (PubChem CID 136942179) 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-3,5-dimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol
PubChem CID136942179
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2cc(N)n(C)n2)c(O)c1Cl
InChIInChI=1S/C12H14ClN3O/c1-6-4-7(2)11(13)12(17)10(6)8-5-9(14)16(3)15-8/h4-5,17H,14H2,1-3H3
InChIKeyPRALAEWOUVEFEH-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-3,4-dimethylphenol
CID 136942186
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
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274
1-(5-amino-1-methylpyrazol-3-yl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 136931996
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320
3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117427225
3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine
CID 81323807
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112019
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol (CID 136942179) is 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol is Cc1cc(C)c(-c2cc(N)n(C)n2)c(O)c1Cl.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol?
The InChIKey is PRALAEWOUVEFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-6-4-7(2)11(13)12(17)10(6)8-5-9(14)16(3)15-8/h4-5,17H,14H2,1-3H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol?
2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-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-3,5-dimethylphenol is sourced from PubChem (CID 136942179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).