4-(1-methylpyrazol-4-yl)phenol

C10H10N2O — CID 79001945

IUPAC4-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C10H10N2O/c1-12-7-9(6-11-12)8-2-4-10(13)5-3-8/h2-7,13H,1H3
InChIKeyRRBHMAJENUAYKG-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.79
Rot. Bonds1

About 4-(1-methylpyrazol-4-yl)phenol

4-(1-methylpyrazol-4-yl)phenol (PubChem CID 79001945) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)phenol
PubChem CID79001945
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C10H10N2O/c1-12-7-9(6-11-12)8-2-4-10(13)5-3-8/h2-7,13H,1H3
InChIKeyRRBHMAJENUAYKG-UHFFFAOYSA-N
XLogP1.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)phenol?
The IUPAC name of 4-(1-methylpyrazol-4-yl)phenol (CID 79001945) is 4-(1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)phenol is Cn1cc(-c2ccc(O)cc2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)phenol?
The InChIKey is RRBHMAJENUAYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-12-7-9(6-11-12)8-2-4-10(13)5-3-8/h2-7,13H,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)phenol?
4-(1-methylpyrazol-4-yl)phenol has a molecular weight of 174.20 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 79001945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).