2-(5-amino-1-methylpyrazol-4-yl)phenol

C10H11N3O — CID 105422844

IUPAC2-(5-amino-1-methylpyrazol-4-yl)phenol
SMILESCn1ncc(-c2ccccc2O)c1N
InChIInChI=1S/C10H11N3O/c1-13-10(11)8(6-12-13)7-4-2-3-5-9(7)14/h2-6,14H,11H2,1H3
InChIKeyQUJGHFNIZFFFFO-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.37
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-4-yl)phenol

2-(5-amino-1-methylpyrazol-4-yl)phenol (PubChem CID 105422844) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)phenol
PubChem CID105422844
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)phenol
SMILESCn1ncc(-c2ccccc2O)c1N
InChIInChI=1S/C10H11N3O/c1-13-10(11)8(6-12-13)7-4-2-3-5-9(7)14/h2-6,14H,11H2,1H3
InChIKeyQUJGHFNIZFFFFO-UHFFFAOYSA-N
XLogP1.37
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)phenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)phenol (CID 105422844) is 2-(5-amino-1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)phenol is Cn1ncc(-c2ccccc2O)c1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)phenol?
The InChIKey is QUJGHFNIZFFFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-10(11)8(6-12-13)7-4-2-3-5-9(7)14/h2-6,14H,11H2,1H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)phenol?
2-(5-amino-1-methylpyrazol-4-yl)phenol has a molecular weight of 189.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 105422844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).