[(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone

C16H14N2O2 — CID 98548593

IUPAC[(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1N=NC[C@H]1c1ccccc1O
InChIInChI=1S/C16H14N2O2/c19-14-9-5-4-8-12(14)13-10-17-18-15(13)16(20)11-6-2-1-3-7-11/h1-9,13,15,19H,10H2/t13-,15+/m0/s1
InChIKeyWABVSKWJJLLTIG-DZGCQCFKSA-N
MW266.30 g/mol
LogP3.19
Rot. Bonds3

About [(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone

[(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone (PubChem CID 98548593) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is [(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
PubChem CID98548593
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name[(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1N=NC[C@H]1c1ccccc1O
InChIInChI=1S/C16H14N2O2/c19-14-9-5-4-8-12(14)13-10-17-18-15(13)16(20)11-6-2-1-3-7-11/h1-9,13,15,19H,10H2/t13-,15+/m0/s1
InChIKeyWABVSKWJJLLTIG-DZGCQCFKSA-N
XLogP3.19
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S)-4-(4-methoxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
CID 98108116
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
4-(2-hydroxyphenyl)-1,1-dioxothiolane-3-carboxylic acid
CID 84805326
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077
(5-benzoyl-1-phenyl-4,5-dihydrotriazol-4-yl)-phenylmethanone
CID 71393898
5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105459853
phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
CID 154708999
phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone
CID 91417064
2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 68882314
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490
2-(4,5-dihydro-3H-pyrazol-3-yl)phenol
CID 54440854

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone?
The IUPAC name of [(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone (CID 98548593) is [(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone.
What is the SMILES notation for [(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone?
The canonical SMILES for [(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1N=NC[C@H]1c1ccccc1O.
What is the InChIKey of [(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone?
The InChIKey is WABVSKWJJLLTIG-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-14-9-5-4-8-12(14)13-10-17-18-15(13)16(20)11-6-2-1-3-7-11/h1-9,13,15,19H,10H2/t13-,15+/m0/s1.
What are the key properties of [(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone?
[(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone has a molecular weight of 266.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(2-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone is sourced from PubChem (CID 98548593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).