[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate

C25H22N4O3S — CID 55552579

IUPAC[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2ccccc2)n1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C25H22N4O3S/c30-23(15-32-24(31)13-19-16-33-25(26-19)18-7-3-1-4-8-18)27-22-14-21(17-11-12-17)28-29(22)20-9-5-2-6-10-20/h1-10,14,16-17H,11-13,15H2,(H,27,30)
InChIKeyQHKZZYDQSMJBPO-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.60
Rot. Bonds8

About [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate

[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate (PubChem CID 55552579) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
PubChem CID55552579
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2ccccc2)n1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C25H22N4O3S/c30-23(15-32-24(31)13-19-16-33-25(26-19)18-7-3-1-4-8-18)27-22-14-21(17-11-12-17)28-29(22)20-9-5-2-6-10-20/h1-10,14,16-17H,11-13,15H2,(H,27,30)
InChIKeyQHKZZYDQSMJBPO-UHFFFAOYSA-N
XLogP4.60
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[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-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802675
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999622
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 55552560
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
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55358925
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate
CID 55553162
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55554040
4-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-methoxybutanamide
CID 120586999
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802581

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate (CID 55552579) is [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate is O=C(COC(=O)Cc1csc(-c2ccccc2)n1)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The InChIKey is QHKZZYDQSMJBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c30-23(15-32-24(31)13-19-16-33-25(26-19)18-7-3-1-4-8-18)27-22-14-21(17-11-12-17)28-29(22)20-9-5-2-6-10-20/h1-10,14,16-17H,11-13,15H2,(H,27,30).
What are the key properties of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate has a molecular weight of 458.54 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55552579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).