4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol

C12H14N2O — CID 2763727

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol
SMILESCc1n[nH]c(C)c1Cc1ccc(O)cc1
InChIInChI=1S/C12H14N2O/c1-8-12(9(2)14-13-8)7-10-3-5-11(15)6-4-10/h3-6,15H,7H2,1-2H3,(H,13,14)
InChIKeyWCAVDWUYRBVRMN-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.32
Rot. Bonds2

About 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol

4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol (PubChem CID 2763727) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol
PubChem CID2763727
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol
SMILESCc1n[nH]c(C)c1Cc1ccc(O)cc1
InChIInChI=1S/C12H14N2O/c1-8-12(9(2)14-13-8)7-10-3-5-11(15)6-4-10/h3-6,15H,7H2,1-2H3,(H,13,14)
InChIKeyWCAVDWUYRBVRMN-UHFFFAOYSA-N
XLogP2.32
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

o-(1H-pyrazol-3-yl)phenol
CID 819511
Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
2-[5-(4-tert-Butyl-phenyl)-1H-pyrazol-3-yl]-phenol
CID 775984
5-Methyl-2-(5-p-tolyl-1H-pyrazol-3-yl)-phenol
CID 775990
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
2-[5-(4-Methoxy-phenyl)-1H-pyrazol-3-yl]-phenol
CID 3750129
Phenol, 4-(3-(4-hydroxyphenyl)-1H-pyrazol-4-yl)-
CID 135567074
4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 690720

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol (CID 2763727) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol is Cc1n[nH]c(C)c1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol?
The InChIKey is WCAVDWUYRBVRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-12(9(2)14-13-8)7-10-3-5-11(15)6-4-10/h3-6,15H,7H2,1-2H3,(H,13,14).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol has a molecular weight of 202.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol is sourced from PubChem (CID 2763727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).