methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate

C30H30N4O3 — CID 123188697

IUPACmethyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(c2cc(C)nn2-c2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30N4O3/c1-22-20-27(34(31-22)25-16-10-5-11-17-25)32-18-19-33(26(21-32)30(36)37-2)29(35)28(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,20,26,28H,18-19,21H2,1-2H3
InChIKeyZWHSRXNGDDCOMJ-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.20
Rot. Bonds6

About methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate

methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate (PubChem CID 123188697) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate
PubChem CID123188697
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Namemethyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(c2cc(C)nn2-c2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30N4O3/c1-22-20-27(34(31-22)25-16-10-5-11-17-25)32-18-19-33(26(21-32)30(36)37-2)29(35)28(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,20,26,28H,18-19,21H2,1-2H3
InChIKeyZWHSRXNGDDCOMJ-UHFFFAOYSA-N
XLogP4.20
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate
CID 145121615
(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 118521793
4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 123209881
methyl 4-benzoylsulfanyl-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxylate
CID 123354705
(2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid
CID 156701388
methyl 3-[2-(methoxycarbonylamino)-3-methylbutanoyl]-1-phenylimidazolidine-4-carboxylate
CID 66620828
2-amino-2-[4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]cyclohexyl]-1-(1,3-thiazolidin-3-yl)ethanone;trihydrochloride
CID 23139585
1-[4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethanone
CID 90047635
tert-butyl (2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 66996784
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944
lithium;(2S,4S)-1-(2,2-diphenylacetyl)-4-[methyl(propyl)amino]pyrrolidine-2-carboxylic acid;methyl (2S,4S)-1-(2,2-diphenylacetyl)-4-[methyl(propyl)amino]pyrrolidine-2-carboxylate;hydroxide;hydrate
CID 160578062
methyl (4S)-1-(2,2-diphenylacetyl)-4-[[(E)-3-phenylprop-2-enoyl]amino]pyrrolidine-2-carboxylate
CID 129035864

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate?
The IUPAC name of methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate (CID 123188697) is methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate?
The canonical SMILES for methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate is COC(=O)C1CN(c2cc(C)nn2-c2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate?
The InChIKey is ZWHSRXNGDDCOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-22-20-27(34(31-22)25-16-10-5-11-17-25)32-18-19-33(26(21-32)30(36)37-2)29(35)28(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,20,26,28H,18-19,21H2,1-2H3.
What are the key properties of methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate?
methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate has a molecular weight of 494.60 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate is sourced from PubChem (CID 123188697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).