4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol

C10H12N2O — CID 3759645

IUPAC4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol
SMILESCC1=NNC(c2ccc(O)cc2)C1
InChIInChI=1S/C10H12N2O/c1-7-6-10(12-11-7)8-2-4-9(13)5-3-8/h2-5,10,12-13H,6H2,1H3
InChIKeyWQUIQKJEEQNJGN-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.80
Rot. Bonds1

About 4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol

4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol (PubChem CID 3759645) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol
PubChem CID3759645
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol
SMILESCC1=NNC(c2ccc(O)cc2)C1
InChIInChI=1S/C10H12N2O/c1-7-6-10(12-11-7)8-2-4-9(13)5-3-8/h2-5,10,12-13H,6H2,1H3
InChIKeyWQUIQKJEEQNJGN-UHFFFAOYSA-N
XLogP1.80
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol?
The IUPAC name of 4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol (CID 3759645) is 4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol is CC1=NNC(c2ccc(O)cc2)C1.
What is the InChIKey of 4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol?
The InChIKey is WQUIQKJEEQNJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-6-10(12-11-7)8-2-4-9(13)5-3-8/h2-5,10,12-13H,6H2,1H3.
What are the key properties of 4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol?
4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol has a molecular weight of 176.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4,5-dihydro-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 3759645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).