propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate

C19H18N2O3 — CID 56659695

IUPACpropan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCc1cccc(C(=O)n2nc(C(=O)OC(C)C)c3ccccc32)c1
InChIInChI=1S/C19H18N2O3/c1-12(2)24-19(23)17-15-9-4-5-10-16(15)21(20-17)18(22)14-8-6-7-13(3)11-14/h4-12H,1-3H3
InChIKeyMOXFASJZIQASHF-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.60
Rot. Bonds3

About propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate

propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate (PubChem CID 56659695) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate
PubChem CID56659695
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namepropan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCc1cccc(C(=O)n2nc(C(=O)OC(C)C)c3ccccc32)c1
InChIInChI=1S/C19H18N2O3/c1-12(2)24-19(23)17-15-9-4-5-10-16(15)21(20-17)18(22)14-8-6-7-13(3)11-14/h4-12H,1-3H3
InChIKeyMOXFASJZIQASHF-UHFFFAOYSA-N
XLogP3.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate?
The IUPAC name of propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate (CID 56659695) is propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate?
The canonical SMILES for propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate is Cc1cccc(C(=O)n2nc(C(=O)OC(C)C)c3ccccc32)c1.
What is the InChIKey of propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate?
The InChIKey is MOXFASJZIQASHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(2)24-19(23)17-15-9-4-5-10-16(15)21(20-17)18(22)14-8-6-7-13(3)11-14/h4-12H,1-3H3.
What are the key properties of propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate?
propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate is sourced from PubChem (CID 56659695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).