3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol

C10H10FN3O3 — CID 117350062

IUPAC3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol
SMILESCOc1cc(O)c(O)c(-c2cn[nH]c2N)c1F
InChIInChI=1S/C10H10FN3O3/c1-17-6-2-5(15)9(16)7(8(6)11)4-3-13-14-10(4)12/h2-3,15-16H,1H3,(H3,12,13,14)
InChIKeyWEVDQCWKAYVWIJ-UHFFFAOYSA-N
MW239.21 g/mol
LogP1.22
Rot. Bonds2

About 3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol

3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol (PubChem CID 117350062) has the molecular formula C10H10FN3O3 and a molecular weight of 239.21 g/mol. Its IUPAC name is 3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol.

Molecular Properties

Compound Name3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol
PubChem CID117350062
Molecular FormulaC10H10FN3O3
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Name3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol
SMILESCOc1cc(O)c(O)c(-c2cn[nH]c2N)c1F
InChIInChI=1S/C10H10FN3O3/c1-17-6-2-5(15)9(16)7(8(6)11)4-3-13-14-10(4)12/h2-3,15-16H,1H3,(H3,12,13,14)
InChIKeyWEVDQCWKAYVWIJ-UHFFFAOYSA-N
XLogP1.22
TPSA104.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methoxyphenol
CID 117319151
4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117380453
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
CID 117338166
3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117397370
4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117346174
2-(5-amino-1H-pyrazol-4-yl)-6-chloro-3,4-difluorophenol
CID 117366441
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5-difluorophenol
CID 117468094
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117435222
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol?
The IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol (CID 117350062) is 3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol.
What is the SMILES notation for 3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol?
The canonical SMILES for 3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol is COc1cc(O)c(O)c(-c2cn[nH]c2N)c1F.
What is the InChIKey of 3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol?
The InChIKey is WEVDQCWKAYVWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3/c1-17-6-2-5(15)9(16)7(8(6)11)4-3-13-14-10(4)12/h2-3,15-16H,1H3,(H3,12,13,14).
What are the key properties of 3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol?
3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol has a molecular weight of 239.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol is sourced from PubChem (CID 117350062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).