ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate

C19H17N3O3 — CID 166449017

IUPACethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate
SMILESCCOC(=O)[C@H]1C(c2ccccc2)=NNC12C(=O)Nc1ccccc12
InChIInChI=1S/C19H17N3O3/c1-2-25-17(23)15-16(12-8-4-3-5-9-12)21-22-19(15)13-10-6-7-11-14(13)20-18(19)24/h3-11,15,22H,2H2,1H3,(H,20,24)/t15-,19?/m1/s1
InChIKeyMNKDVDHSKOUENI-NYRJJRHWSA-N
MW335.36 g/mol
LogP2.02
Rot. Bonds3

About ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate

ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate (PubChem CID 166449017) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate
PubChem CID166449017
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Nameethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate
SMILESCCOC(=O)[C@H]1C(c2ccccc2)=NNC12C(=O)Nc1ccccc12
InChIInChI=1S/C19H17N3O3/c1-2-25-17(23)15-16(12-8-4-3-5-9-12)21-22-19(15)13-10-6-7-11-14(13)20-18(19)24/h3-11,15,22H,2H2,1H3,(H,20,24)/t15-,19?/m1/s1
InChIKeyMNKDVDHSKOUENI-NYRJJRHWSA-N
XLogP2.02
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate?
The IUPAC name of ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate (CID 166449017) is ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate.
What is the SMILES notation for ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate?
The canonical SMILES for ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate is CCOC(=O)[C@H]1C(c2ccccc2)=NNC12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate?
The InChIKey is MNKDVDHSKOUENI-NYRJJRHWSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-25-17(23)15-16(12-8-4-3-5-9-12)21-22-19(15)13-10-6-7-11-14(13)20-18(19)24/h3-11,15,22H,2H2,1H3,(H,20,24)/t15-,19?/m1/s1.
What are the key properties of ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate?
ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2'-oxo-3-phenylspiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate is sourced from PubChem (CID 166449017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).