4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one

C16H15N3O2 — CID 46834055

IUPAC4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1Cc1ccc(O)cc1
InChIInChI=1S/C16H15N3O2/c1-11-14(10-12-5-7-13(20)8-6-12)16(21)19(18-11)15-4-2-3-9-17-15/h2-9,18,20H,10H2,1H3
InChIKeyZVGVMASQNLDHLN-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.17
Rot. Bonds3

About 4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one

4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 46834055) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID46834055
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1Cc1ccc(O)cc1
InChIInChI=1S/C16H15N3O2/c1-11-14(10-12-5-7-13(20)8-6-12)16(21)19(18-11)15-4-2-3-9-17-15/h2-9,18,20H,10H2,1H3
InChIKeyZVGVMASQNLDHLN-UHFFFAOYSA-N
XLogP2.17
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
CID 46834058
2-[(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)methyl]benzonitrile
CID 46833770
4-benzyl-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 69343421
5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51036475
4-benzyl-5-[1-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride
CID 90073062
5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one
CID 67455915
6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 46834602
N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide
CID 177374356
2-(1H-benzimidazol-2-yl)-4-[(4-tert-butylphenyl)methyl]-5-methyl-1H-pyrazol-3-one;hydrochloride
CID 163329574
4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one
CID 68759225
2-pyridin-2-yl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
CID 66022503
4-[4-ethyl-3-(4-hydroxyphenyl)-1-pyridin-2-ylpyrazol-5-yl]phenol
CID 135693427

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one (CID 46834055) is 4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccn2)c(=O)c1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is ZVGVMASQNLDHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-14(10-12-5-7-13(20)8-6-12)16(21)19(18-11)15-4-2-3-9-17-15/h2-9,18,20H,10H2,1H3.
What are the key properties of 4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 281.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 46834055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).