1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one

C19H20N2O2 — CID 570461

IUPAC1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one
SMILESCC1=NN(C(=O)CCc2ccccc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C19H20N2O2/c1-15-14-19(23,17-10-6-3-7-11-17)21(20-15)18(22)13-12-16-8-4-2-5-9-16/h2-11,23H,12-14H2,1H3
InChIKeyDVKTZQWRZTYQOM-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.07
Rot. Bonds4

About 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one

1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one (PubChem CID 570461) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one
PubChem CID570461
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one
SMILESCC1=NN(C(=O)CCc2ccccc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C19H20N2O2/c1-15-14-19(23,17-10-6-3-7-11-17)21(20-15)18(22)13-12-16-8-4-2-5-9-16/h2-11,23H,12-14H2,1H3
InChIKeyDVKTZQWRZTYQOM-UHFFFAOYSA-N
XLogP3.07
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2845040
[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
CID 2859494
[5-(4-fluorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 3113607
[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone
CID 3113629
1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone
CID 2857573
1-(4-bromobenzoyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 2884136
1-[(benzylthio)acetyl]-5-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
CID 2954127
1-(4-bromobenzoyl)-3-ethyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3107190
5-(4-Bromophenyl)-3-ethyl-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazol-5-OL
CID 3120301
2-Pyrazolin-5-ol, 1-(2-fluorobenzoyl)-3-trifluoromethyl-5-phenyl-
CID 579539
ethyl 5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxylate
CID 2885046
1-benzoyl-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2845036

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one (CID 570461) is 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one is CC1=NN(C(=O)CCc2ccccc2)C(O)(c2ccccc2)C1.
What is the InChIKey of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one?
The InChIKey is DVKTZQWRZTYQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-15-14-19(23,17-10-6-3-7-11-17)21(20-15)18(22)13-12-16-8-4-2-5-9-16/h2-11,23H,12-14H2,1H3.
What are the key properties of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one?
1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one has a molecular weight of 308.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 570461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).