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

C11H13N3O3 — CID 137017080

IUPAC4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
SMILESCOc1cc(-c2cc(N)n[nH]2)c(OC)cc1O
InChIInChI=1S/C11H13N3O3/c1-16-9-5-8(15)10(17-2)3-6(9)7-4-11(12)14-13-7/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyCOWJOFDELOCNAV-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.38
Rot. Bonds3

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

4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol (PubChem CID 137017080) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol.

Molecular Properties

Compound Name4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
PubChem CID137017080
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
SMILESCOc1cc(-c2cc(N)n[nH]2)c(OC)cc1O
InChIInChI=1S/C11H13N3O3/c1-16-9-5-8(15)10(17-2)3-6(9)7-4-11(12)14-13-7/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyCOWJOFDELOCNAV-UHFFFAOYSA-N
XLogP1.38
TPSA93.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747
5-(3-amino-1H-pyrazol-5-yl)-2-methoxyphenol
CID 130019057
5-(3-amino-1H-pyrazol-5-yl)-2,4-dimethoxybenzoic acid
CID 117412042
methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate
CID 137004785
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117369983
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 136963394
5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412508
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411
5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine
CID 113452627
3-(3-amino-1H-pyrazol-5-yl)-5-tert-butyl-2-methoxyphenol
CID 117407603
2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol
CID 136993746
4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
CID 136998614

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol?
The IUPAC name of 4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol (CID 137017080) is 4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol.
What is the SMILES notation for 4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol?
The canonical SMILES for 4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol is COc1cc(-c2cc(N)n[nH]2)c(OC)cc1O.
What is the InChIKey of 4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol?
The InChIKey is COWJOFDELOCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-16-9-5-8(15)10(17-2)3-6(9)7-4-11(12)14-13-7/h3-5,15H,1-2H3,(H3,12,13,14).
What are the key properties of 4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol?
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol has a molecular weight of 235.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol is sourced from PubChem (CID 137017080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).