[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

C24H27N3O4 — CID 8985757

IUPAC[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)O[C@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C24H27N3O4/c1-16(22(28)25-24(2,3)4)31-23(29)19-15-27(17-11-7-6-8-12-17)26-21(19)18-13-9-10-14-20(18)30-5/h6-16H,1-5H3,(H,25,28)/t16-/m1/s1
InChIKeyOICACUKJXXEOLF-MRXNPFEDSA-N
MW421.50 g/mol
LogP4.01
Rot. Bonds6

About [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 8985757) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID8985757
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)O[C@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C24H27N3O4/c1-16(22(28)25-24(2,3)4)31-23(29)19-15-27(17-11-7-6-8-12-17)26-21(19)18-13-9-10-14-20(18)30-5/h6-16H,1-5H3,(H,25,28)/t16-/m1/s1
InChIKeyOICACUKJXXEOLF-MRXNPFEDSA-N
XLogP4.01
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-oxo-1-(propylamino)propan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 8985765
3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 30157703
3-(2-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9301390
N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 8744666
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 16531009
N-(3-hydroxypropyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78796345
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 31155703
3-(2-methoxyphenyl)-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31340329
3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8781230
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580677
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate
CID 7842147

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (CID 8985757) is [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)O[C@H](C)C(=O)NC(C)(C)C.
What is the InChIKey of [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is OICACUKJXXEOLF-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16(22(28)25-24(2,3)4)31-23(29)19-15-27(17-11-7-6-8-12-17)26-21(19)18-13-9-10-14-20(18)30-5/h6-16H,1-5H3,(H,25,28)/t16-/m1/s1.
What are the key properties of [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 8985757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).