(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone

C17H14Cl2N2O2 — CID 3100400

IUPAC(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone
SMILESCC1(O)CC(c2ccc(Cl)cc2)=NN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2/c1-17(23)10-15(11-2-6-13(18)7-3-11)20-21(17)16(22)12-4-8-14(19)9-5-12/h2-9,23H,10H2,1H3
InChIKeyRGHNWONBUXGEPP-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.95
Rot. Bonds2

About (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone

(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone (PubChem CID 3100400) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone
PubChem CID3100400
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone
SMILESCC1(O)CC(c2ccc(Cl)cc2)=NN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2/c1-17(23)10-15(11-2-6-13(18)7-3-11)20-21(17)16(22)12-4-8-14(19)9-5-12/h2-9,23H,10H2,1H3
InChIKeyRGHNWONBUXGEPP-UHFFFAOYSA-N
XLogP3.95
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.95
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
(4-Chloro-phenyl)-(3-ethyl-5-hydroxy-5-p-tolyl-4,5-dihydro-pyrazol-1-yl)-methanone
CID 3107186
5-(4-chlorophenyl)-1-(2-fluorobenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3113628
[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone
CID 3113629
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](4-methylphenyl)methanone
CID 1486796
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](phenyl)methanone
CID 1488624
(4-chlorophenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484237
2-{3-[(4-Chlorophenyl)methyl]-4-oxo-3,4-dihydrophthalazin-1-yl}acetic acid
CID 1486105
(3-chlorophenyl)[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1486794
(4-Chloro-phenyl)-(3-ethyl-5-hydroxy-5-phenyl-4,5-dihydro-pyrazol-1-yl)-methanone
CID 2857540
(2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2868929
5-ethyl-1-(2-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 4415958

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone (CID 3100400) is (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone is CC1(O)CC(c2ccc(Cl)cc2)=NN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone?
The InChIKey is RGHNWONBUXGEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-17(23)10-15(11-2-6-13(18)7-3-11)20-21(17)16(22)12-4-8-14(19)9-5-12/h2-9,23H,10H2,1H3.
What are the key properties of (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone?
(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone has a molecular weight of 349.22 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3100400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).