[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

C24H29N5O4 — CID 55999622

IUPAC[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCC(C)(C)c1noc(CCCC(=O)OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)n1
InChIInChI=1S/C24H29N5O4/c1-24(2,3)23-26-21(33-28-23)10-7-11-22(31)32-15-20(30)25-19-14-18(16-12-13-16)27-29(19)17-8-5-4-6-9-17/h4-6,8-9,14,16H,7,10-13,15H2,1-3H3,(H,25,30)
InChIKeyKKVZHXMTYVAYBT-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.93
Rot. Bonds9

About [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (PubChem CID 55999622) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.

Molecular Properties

Compound Name[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
PubChem CID55999622
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCC(C)(C)c1noc(CCCC(=O)OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)n1
InChIInChI=1S/C24H29N5O4/c1-24(2,3)23-26-21(33-28-23)10-7-11-22(31)32-15-20(30)25-19-14-18(16-12-13-16)27-29(19)17-8-5-4-6-9-17/h4-6,8-9,14,16H,7,10-13,15H2,1-3H3,(H,25,30)
InChIKeyKKVZHXMTYVAYBT-UHFFFAOYSA-N
XLogP3.93
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55552579
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 55552677
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 55552560
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55665358
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
CID 55553497
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55665755
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999216
4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122074917
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 55553271

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The IUPAC name of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (CID 55999622) is [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.
What is the SMILES notation for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The canonical SMILES for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is CC(C)(C)c1noc(CCCC(=O)OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)n1.
What is the InChIKey of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The InChIKey is KKVZHXMTYVAYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-24(2,3)23-26-21(33-28-23)10-7-11-22(31)32-15-20(30)25-19-14-18(16-12-13-16)27-29(19)17-8-5-4-6-9-17/h4-6,8-9,14,16H,7,10-13,15H2,1-3H3,(H,25,30).
What are the key properties of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate has a molecular weight of 451.53 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is sourced from PubChem (CID 55999622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).