methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate

C19H14N2O2 — CID 171976219

IUPACmethyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)N=NC12C=Cc1ccccc12
InChIInChI=1S/C19H14N2O2/c1-23-18(22)16-17(14-8-3-2-4-9-14)20-21-19(16)12-11-13-7-5-6-10-15(13)19/h2-12H,1H3
InChIKeyLATMZKKSMWQLDC-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.96
Rot. Bonds2

About methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate

methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate (PubChem CID 171976219) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate.

Molecular Properties

Compound Namemethyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate
PubChem CID171976219
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Namemethyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)N=NC12C=Cc1ccccc12
InChIInChI=1S/C19H14N2O2/c1-23-18(22)16-17(14-8-3-2-4-9-14)20-21-19(16)12-11-13-7-5-6-10-15(13)19/h2-12H,1H3
InChIKeyLATMZKKSMWQLDC-UHFFFAOYSA-N
XLogP3.96
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate?
The IUPAC name of methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate (CID 171976219) is methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate.
What is the SMILES notation for methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate?
The canonical SMILES for methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate is COC(=O)C1=C(c2ccccc2)N=NC12C=Cc1ccccc12.
What is the InChIKey of methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate?
The InChIKey is LATMZKKSMWQLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-23-18(22)16-17(14-8-3-2-4-9-14)20-21-19(16)12-11-13-7-5-6-10-15(13)19/h2-12H,1H3.
What are the key properties of methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate?
methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5'-phenylspiro[indene-1,3'-pyrazole]-4'-carboxylate is sourced from PubChem (CID 171976219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).