2-(3,5-diaminopyrazol-1-yl)phenol

C9H10N4O — CID 83863975

IUPAC2-(3,5-diaminopyrazol-1-yl)phenol
SMILESNc1cc(N)n(-c2ccccc2O)n1
InChIInChI=1S/C9H10N4O/c10-8-5-9(11)13(12-8)6-3-1-2-4-7(6)14/h1-5,14H,11H2,(H2,10,12)
InChIKeySYQFMUADQYPGEO-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.74
Rot. Bonds1

About 2-(3,5-diaminopyrazol-1-yl)phenol

2-(3,5-diaminopyrazol-1-yl)phenol (PubChem CID 83863975) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-(3,5-diaminopyrazol-1-yl)phenol.

Molecular Properties

Compound Name2-(3,5-diaminopyrazol-1-yl)phenol
PubChem CID83863975
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-(3,5-diaminopyrazol-1-yl)phenol
SMILESNc1cc(N)n(-c2ccccc2O)n1
InChIInChI=1S/C9H10N4O/c10-8-5-9(11)13(12-8)6-3-1-2-4-7(6)14/h1-5,14H,11H2,(H2,10,12)
InChIKeySYQFMUADQYPGEO-UHFFFAOYSA-N
XLogP0.74
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diaminopyrazol-1-yl)phenol?
The IUPAC name of 2-(3,5-diaminopyrazol-1-yl)phenol (CID 83863975) is 2-(3,5-diaminopyrazol-1-yl)phenol.
What is the SMILES notation for 2-(3,5-diaminopyrazol-1-yl)phenol?
The canonical SMILES for 2-(3,5-diaminopyrazol-1-yl)phenol is Nc1cc(N)n(-c2ccccc2O)n1.
What is the InChIKey of 2-(3,5-diaminopyrazol-1-yl)phenol?
The InChIKey is SYQFMUADQYPGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-8-5-9(11)13(12-8)6-3-1-2-4-7(6)14/h1-5,14H,11H2,(H2,10,12).
What are the key properties of 2-(3,5-diaminopyrazol-1-yl)phenol?
2-(3,5-diaminopyrazol-1-yl)phenol has a molecular weight of 190.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diaminopyrazol-1-yl)phenol is sourced from PubChem (CID 83863975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).