[2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate

C23H25N3O3 — CID 8536950

IUPAC[2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-3-25(4-2)21(27)17-29-23(28)20-16-26(15-18-11-7-5-8-12-18)24-22(20)19-13-9-6-10-14-19/h5-14,16H,3-4,15,17H2,1-2H3
InChIKeyPQLIQAABAMZIMS-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.62
Rot. Bonds8

About [2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate

[2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate (PubChem CID 8536950) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate
PubChem CID8536950
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-3-25(4-2)21(27)17-29-23(28)20-16-26(15-18-11-7-5-8-12-18)24-22(20)19-13-9-6-10-14-19/h5-14,16H,3-4,15,17H2,1-2H3
InChIKeyPQLIQAABAMZIMS-UHFFFAOYSA-N
XLogP3.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-benzyl-3-(4-fluorophenyl)pyrazole-4-carboxylate
CID 69209130
[2-(diethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516472
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate
CID 8536906
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 1-benzyl-3-(4-phenyltriazol-1-yl)pyrazole-4-carboxylate
CID 170459276
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 17485946
ethyl 1-benzyl-3-(2-oxoethyl)pyrazole-4-carboxylate
CID 135308878
ethyl 1-benzyl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 126676525
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
cyanomethyl 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
CID 8980258
ethyl 1-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 42916406

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate (CID 8536950) is [2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate is CCN(CC)C(=O)COC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate?
The InChIKey is PQLIQAABAMZIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-25(4-2)21(27)17-29-23(28)20-16-26(15-18-11-7-5-8-12-18)24-22(20)19-13-9-6-10-14-19/h5-14,16H,3-4,15,17H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate?
[2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 8536950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).