(2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate

C17H20N2O3 — CID 166340182

IUPAC(2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate
SMILESCOc1cc(C(=O)OC2CCC2C2CC2)cc2cn(C)nc12
InChIInChI=1S/C17H20N2O3/c1-19-9-12-7-11(8-15(21-2)16(12)18-19)17(20)22-14-6-5-13(14)10-3-4-10/h7-10,13-14H,3-6H2,1-2H3
InChIKeyYHQQQRCUZZSFFW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.93
Rot. Bonds4

About (2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate

(2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate (PubChem CID 166340182) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate.

Molecular Properties

Compound Name(2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate
PubChem CID166340182
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate
SMILESCOc1cc(C(=O)OC2CCC2C2CC2)cc2cn(C)nc12
InChIInChI=1S/C17H20N2O3/c1-19-9-12-7-11(8-15(21-2)16(12)18-19)17(20)22-14-6-5-13(14)10-3-4-10/h7-10,13-14H,3-6H2,1-2H3
InChIKeyYHQQQRCUZZSFFW-UHFFFAOYSA-N
XLogP2.93
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate?
The IUPAC name of (2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate (CID 166340182) is (2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate.
What is the SMILES notation for (2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate?
The canonical SMILES for (2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate is COc1cc(C(=O)OC2CCC2C2CC2)cc2cn(C)nc12.
What is the InChIKey of (2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate?
The InChIKey is YHQQQRCUZZSFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-19-9-12-7-11(8-15(21-2)16(12)18-19)17(20)22-14-6-5-13(14)10-3-4-10/h7-10,13-14H,3-6H2,1-2H3.
What are the key properties of (2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate?
(2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate is sourced from PubChem (CID 166340182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).