1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one

C14H18N2O2 — CID 713990

IUPAC1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
SMILESCC1=NN(C(=O)C(C)C)[C@](O)(c2ccccc2)C1
InChIInChI=1S/C14H18N2O2/c1-10(2)13(17)16-14(18,9-11(3)15-16)12-7-5-4-6-8-12/h4-8,10,18H,9H2,1-3H3/t14-/m1/s1
InChIKeyUFPTWLYHJAIQLX-CQSZACIVSA-N
MW246.31 g/mol
LogP2.10
Rot. Bonds2

About 1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one

1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one (PubChem CID 713990) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
PubChem CID713990
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
SMILESCC1=NN(C(=O)C(C)C)[C@](O)(c2ccccc2)C1
InChIInChI=1S/C14H18N2O2/c1-10(2)13(17)16-14(18,9-11(3)15-16)12-7-5-4-6-8-12/h4-8,10,18H,9H2,1-3H3/t14-/m1/s1
InChIKeyUFPTWLYHJAIQLX-CQSZACIVSA-N
XLogP2.10
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5R)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
CID 713945
[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 781848
[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 40523005
(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2884136
1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
CID 40531856
[(5S)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387344
[(5R)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387345
(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
CID 2845042
1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-[[5-[2-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7849336
[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
CID 11836338
1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methylpropan-1-one
CID 713936
[(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
CID 768635

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one (CID 713990) is 1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one is CC1=NN(C(=O)C(C)C)[C@](O)(c2ccccc2)C1.
What is the InChIKey of 1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one?
The InChIKey is UFPTWLYHJAIQLX-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)13(17)16-14(18,9-11(3)15-16)12-7-5-4-6-8-12/h4-8,10,18H,9H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one?
1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 713990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).