[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate

C23H23N3O5 — CID 7684989

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)NC2CC2)c1
InChIInChI=1S/C23H23N3O5/c1-29-17-10-11-20(30-2)18(12-17)22-19(13-26(25-22)16-6-4-3-5-7-16)23(28)31-14-21(27)24-15-8-9-15/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,24,27)
InChIKeyIWNAFLUSQRWZIS-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.99
Rot. Bonds8

About [2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 7684989) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID7684989
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)NC2CC2)c1
InChIInChI=1S/C23H23N3O5/c1-29-17-10-11-20(30-2)18(12-17)22-19(13-26(25-22)16-6-4-3-5-7-16)23(28)31-14-21(27)24-15-8-9-15/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,24,27)
InChIKeyIWNAFLUSQRWZIS-UHFFFAOYSA-N
XLogP2.99
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 41475897
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 2357802
[2-(cyclopropylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580715
[2-(cyclopropylamino)-2-oxoethyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7796885
3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide
CID 56559378
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561176
[(3S)-2-oxooxolan-3-yl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684985
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 31133358
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 31155703
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7796813
tert-butyl 4-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-carboxylate
CID 55509279
[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402162

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate (CID 7684989) is [2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate is COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)NC2CC2)c1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is IWNAFLUSQRWZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-29-17-10-11-20(30-2)18(12-17)22-19(13-26(25-22)16-6-4-3-5-7-16)23(28)31-14-21(27)24-15-8-9-15/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,24,27).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 7684989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).