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

C11H12ClN3O — CID 137017167

IUPAC2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol
SMILESCc1cc(Cl)c(O)c(-c2cc(N)n[nH]2)c1C
InChIInChI=1S/C11H12ClN3O/c1-5-3-7(12)11(16)10(6(5)2)8-4-9(13)15-14-8/h3-4,16H,1-2H3,(H3,13,14,15)
InChIKeyXXPNKRWUPHFIBY-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.63
Rot. Bonds1

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

2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol (PubChem CID 137017167) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol.

Molecular Properties

Compound Name2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol
PubChem CID137017167
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol
SMILESCc1cc(Cl)c(O)c(-c2cc(N)n[nH]2)c1C
InChIInChI=1S/C11H12ClN3O/c1-5-3-7(12)11(16)10(6(5)2)8-4-9(13)15-14-8/h3-4,16H,1-2H3,(H3,13,14,15)
InChIKeyXXPNKRWUPHFIBY-UHFFFAOYSA-N
XLogP2.63
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942315
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159
2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol
CID 136942186
6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol
CID 136968444
5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 115111588
2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol
CID 136993746
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol
CID 136998730
5-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117422703
2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol
CID 117348179
5-(3-chloro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455942
4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
CID 136998614

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol?
The IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol (CID 137017167) is 2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol.
What is the SMILES notation for 2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol?
The canonical SMILES for 2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol is Cc1cc(Cl)c(O)c(-c2cc(N)n[nH]2)c1C.
What is the InChIKey of 2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol?
The InChIKey is XXPNKRWUPHFIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-5-3-7(12)11(16)10(6(5)2)8-4-9(13)15-14-8/h3-4,16H,1-2H3,(H3,13,14,15).
What are the key properties of 2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol?
2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol has a molecular weight of 237.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol is sourced from PubChem (CID 137017167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).