(4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate

C24H24N2O3 — CID 10960070

IUPAC(4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate
SMILESO=C1CCC(OC(=O)c2cnn(-c3ccccc3)c2CCc2ccccc2)CC1
InChIInChI=1S/C24H24N2O3/c27-20-12-14-21(15-13-20)29-24(28)22-17-25-26(19-9-5-2-6-10-19)23(22)16-11-18-7-3-1-4-8-18/h1-10,17,21H,11-16H2
InChIKeyHKUOEHSQJAXEDO-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.33
Rot. Bonds6

About (4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate

(4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate (PubChem CID 10960070) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name(4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate
PubChem CID10960070
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate
SMILESO=C1CCC(OC(=O)c2cnn(-c3ccccc3)c2CCc2ccccc2)CC1
InChIInChI=1S/C24H24N2O3/c27-20-12-14-21(15-13-20)29-24(28)22-17-25-26(19-9-5-2-6-10-19)23(22)16-11-18-7-3-1-4-8-18/h1-10,17,21H,11-16H2
InChIKeyHKUOEHSQJAXEDO-UHFFFAOYSA-N
XLogP4.33
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-oxocyclohexyl) 1-phenyl-5-propan-2-ylpyrazole-4-carboxylate
CID 10969445
prop-2-enyl 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate
CID 10860542
methyl 5-butyl-1-phenylpyrazole-4-carboxylate
CID 129024487
(4-oxocyclohexyl) 2-ethylbenzoate
CID 174637503
ethyl 5-(3-oxopropyl)-1-phenylpyrazole-4-carboxylate
CID 71567359
(4-oxocycloheptyl) benzoate
CID 24971560
methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-phenylpyrazole-4-carboxylate
CID 91654872
1,2-dicyclopropyl-4-(1-phenyl-5-propylpyrazol-4-yl)but-2-ene-1,4-dione
CID 67377379
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid
CID 82187880
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861

Frequently Asked Questions

What is the IUPAC name of (4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate?
The IUPAC name of (4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate (CID 10960070) is (4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate.
What is the SMILES notation for (4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate?
The canonical SMILES for (4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate is O=C1CCC(OC(=O)c2cnn(-c3ccccc3)c2CCc2ccccc2)CC1.
What is the InChIKey of (4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate?
The InChIKey is HKUOEHSQJAXEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-20-12-14-21(15-13-20)29-24(28)22-17-25-26(19-9-5-2-6-10-19)23(22)16-11-18-7-3-1-4-8-18/h1-10,17,21H,11-16H2.
What are the key properties of (4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate?
(4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxocyclohexyl) 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 10960070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).