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

C11H13N3O — CID 136998614

IUPAC4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(-c2cc(N)n[nH]2)c1C
InChIInChI=1S/C11H13N3O/c1-6-7(2)10(15)4-3-8(6)9-5-11(12)14-13-9/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyJYKOCLJOBIJZLS-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.98
Rot. Bonds1

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

4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol (PubChem CID 136998614) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol.

Molecular Properties

Compound Name4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
PubChem CID136998614
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(-c2cc(N)n[nH]2)c1C
InChIInChI=1S/C11H13N3O/c1-6-7(2)10(15)4-3-8(6)9-5-11(12)14-13-9/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyJYKOCLJOBIJZLS-UHFFFAOYSA-N
XLogP1.98
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol
CID 136968444
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104
3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol
CID 136998730
6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
CID 137017080
5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
CID 117365767
3-(3-amino-1H-pyrazol-5-yl)-1H-indol-7-ol
CID 136985847
5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117334141
5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 82471385
5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 24696659

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol?
The IUPAC name of 4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol (CID 136998614) is 4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol.
What is the SMILES notation for 4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol?
The canonical SMILES for 4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol is Cc1c(O)ccc(-c2cc(N)n[nH]2)c1C.
What is the InChIKey of 4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol?
The InChIKey is JYKOCLJOBIJZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-7(2)10(15)4-3-8(6)9-5-11(12)14-13-9/h3-5,15H,1-2H3,(H3,12,13,14).
What are the key properties of 4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol?
4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol has a molecular weight of 203.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol is sourced from PubChem (CID 136998614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).