methyl 2-(3-phenylpropyl)indazole-6-carboxylate

C18H18N2O2 — CID 24953212

IUPACmethyl 2-(3-phenylpropyl)indazole-6-carboxylate
SMILESCOC(=O)c1ccc2cn(CCCc3ccccc3)nc2c1
InChIInChI=1S/C18H18N2O2/c1-22-18(21)15-9-10-16-13-20(19-17(16)12-15)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3
InChIKeyIGWJRSNSYVSRCI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.46
Rot. Bonds5

About methyl 2-(3-phenylpropyl)indazole-6-carboxylate

methyl 2-(3-phenylpropyl)indazole-6-carboxylate (PubChem CID 24953212) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-(3-phenylpropyl)indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-phenylpropyl)indazole-6-carboxylate
PubChem CID24953212
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Namemethyl 2-(3-phenylpropyl)indazole-6-carboxylate
SMILESCOC(=O)c1ccc2cn(CCCc3ccccc3)nc2c1
InChIInChI=1S/C18H18N2O2/c1-22-18(21)15-9-10-16-13-20(19-17(16)12-15)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3
InChIKeyIGWJRSNSYVSRCI-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenylpropyl)indazole-6-carboxylate?
The IUPAC name of methyl 2-(3-phenylpropyl)indazole-6-carboxylate (CID 24953212) is methyl 2-(3-phenylpropyl)indazole-6-carboxylate.
What is the SMILES notation for methyl 2-(3-phenylpropyl)indazole-6-carboxylate?
The canonical SMILES for methyl 2-(3-phenylpropyl)indazole-6-carboxylate is COC(=O)c1ccc2cn(CCCc3ccccc3)nc2c1.
What is the InChIKey of methyl 2-(3-phenylpropyl)indazole-6-carboxylate?
The InChIKey is IGWJRSNSYVSRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-18(21)15-9-10-16-13-20(19-17(16)12-15)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3.
What are the key properties of methyl 2-(3-phenylpropyl)indazole-6-carboxylate?
methyl 2-(3-phenylpropyl)indazole-6-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenylpropyl)indazole-6-carboxylate is sourced from PubChem (CID 24953212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).