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

C18H18N2O — CID 1478286

IUPAC4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol
SMILESCc1nn(-c2ccccc2)c(C)c1Cc1ccc(O)cc1
InChIInChI=1S/C18H18N2O/c1-13-18(12-15-8-10-17(21)11-9-15)14(2)20(19-13)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3
InChIKeyOGWWPFKGGKBQIC-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.79
Rot. Bonds3

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

4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol (PubChem CID 1478286) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol
PubChem CID1478286
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol
SMILESCc1nn(-c2ccccc2)c(C)c1Cc1ccc(O)cc1
InChIInChI=1S/C18H18N2O/c1-13-18(12-15-8-10-17(21)11-9-15)14(2)20(19-13)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3
InChIKeyOGWWPFKGGKBQIC-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,3-dimethylthiourea
CID 9218554
4-[2-hydroperoxy-2,2-bis(4-methylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole
CID 10693025
1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 8851232
3-methyl-1-phenylindazol-5-ol
CID 105481865
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
CID 78799265
(4-hydroxy-5-methyl-1-phenylpyrazol-3-yl)methanetriol
CID 91517033
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-methoxyethoxy)methanamine
CID 82714639

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol?
The IUPAC name of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol (CID 1478286) is 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol.
What is the SMILES notation for 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol?
The canonical SMILES for 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol is Cc1nn(-c2ccccc2)c(C)c1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol?
The InChIKey is OGWWPFKGGKBQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-18(12-15-8-10-17(21)11-9-15)14(2)20(19-13)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3.
What are the key properties of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol?
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol has a molecular weight of 278.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol is sourced from PubChem (CID 1478286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).