propyl 1-(3-methylbenzoyl)indazole-3-carboxylate

C19H18N2O3 — CID 56659694

IUPACpropyl 1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccccc12
InChIInChI=1S/C19H18N2O3/c1-3-11-24-19(23)17-15-9-4-5-10-16(15)21(20-17)18(22)14-8-6-7-13(2)12-14/h4-10,12H,3,11H2,1-2H3
InChIKeyUIZMDHDCVILVBH-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.60
Rot. Bonds4

About propyl 1-(3-methylbenzoyl)indazole-3-carboxylate

propyl 1-(3-methylbenzoyl)indazole-3-carboxylate (PubChem CID 56659694) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is propyl 1-(3-methylbenzoyl)indazole-3-carboxylate.

Molecular Properties

Compound Namepropyl 1-(3-methylbenzoyl)indazole-3-carboxylate
PubChem CID56659694
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namepropyl 1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccccc12
InChIInChI=1S/C19H18N2O3/c1-3-11-24-19(23)17-15-9-4-5-10-16(15)21(20-17)18(22)14-8-6-7-13(2)12-14/h4-10,12H,3,11H2,1-2H3
InChIKeyUIZMDHDCVILVBH-UHFFFAOYSA-N
XLogP3.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze propyl 1-(3-methylbenzoyl)indazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Suvn-d4010
CID 71508291
1-Benzyl-3-(4'-ethoxycarbonylphenyl)indazole
CID 10132921
Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
CID 3403603
Xinidamine
CID 68675
Mfubinac
CID 58124744
Apinac
CID 129532609
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2425270
Ethyl 4-[1-[(2-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 23120782
Ethyl 4-(1-ethylindazol-3-yl)benzoate
CID 44451602
Ethyl 4-(1-methylindazol-3-yl)benzoate
CID 44451627
Methyl 1-methyl-1H-indazole-3-carboxylate
CID 13900574
Ethyl 1-benzoylindazole-3-carboxylate
CID 12689316

Frequently Asked Questions

What is the IUPAC name of propyl 1-(3-methylbenzoyl)indazole-3-carboxylate?
The IUPAC name of propyl 1-(3-methylbenzoyl)indazole-3-carboxylate (CID 56659694) is propyl 1-(3-methylbenzoyl)indazole-3-carboxylate.
What is the SMILES notation for propyl 1-(3-methylbenzoyl)indazole-3-carboxylate?
The canonical SMILES for propyl 1-(3-methylbenzoyl)indazole-3-carboxylate is CCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccccc12.
What is the InChIKey of propyl 1-(3-methylbenzoyl)indazole-3-carboxylate?
The InChIKey is UIZMDHDCVILVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-11-24-19(23)17-15-9-4-5-10-16(15)21(20-17)18(22)14-8-6-7-13(2)12-14/h4-10,12H,3,11H2,1-2H3.
What are the key properties of propyl 1-(3-methylbenzoyl)indazole-3-carboxylate?
propyl 1-(3-methylbenzoyl)indazole-3-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(3-methylbenzoyl)indazole-3-carboxylate is sourced from PubChem (CID 56659694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).