[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate

C29H26N4O4 — CID 55553271

IUPAC[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C29H26N4O4/c34-26(30-25-18-24(20-16-17-20)32-33(25)23-14-8-3-9-15-23)19-37-29(36)27(21-10-4-1-5-11-21)31-28(35)22-12-6-2-7-13-22/h1-15,18,20,27H,16-17,19H2,(H,30,34)(H,31,35)
InChIKeyGCZSPXPMDRRIKV-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.40
Rot. Bonds9

About [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate

[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate (PubChem CID 55553271) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate.

Molecular Properties

Compound Name[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate
PubChem CID55553271
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Name[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C29H26N4O4/c34-26(30-25-18-24(20-16-17-20)32-33(25)23-14-8-3-9-15-23)19-37-29(36)27(21-10-4-1-5-11-21)31-28(35)22-12-6-2-7-13-22/h1-15,18,20,27H,16-17,19H2,(H,30,34)(H,31,35)
InChIKeyGCZSPXPMDRRIKV-UHFFFAOYSA-N
XLogP4.40
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 55552560
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71943773
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
[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
3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide
CID 78830466
[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] 3-(phenoxymethyl)furan-2-carboxylate
CID 55553162
3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
CID 134797164
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55552579
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate
CID 55552937

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate?
The IUPAC name of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate (CID 55553271) is [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate.
What is the SMILES notation for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate?
The canonical SMILES for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate is O=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate?
The InChIKey is GCZSPXPMDRRIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c34-26(30-25-18-24(20-16-17-20)32-33(25)23-14-8-3-9-15-23)19-37-29(36)27(21-10-4-1-5-11-21)31-28(35)22-12-6-2-7-13-22/h1-15,18,20,27H,16-17,19H2,(H,30,34)(H,31,35).
What are the key properties of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate?
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate has a molecular weight of 494.55 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate is sourced from PubChem (CID 55553271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).