3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide

C23H25N3O3 — CID 71577664

IUPAC3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-3-19(16-8-5-4-6-9-16)24-22(27)17-11-12-20-18(14-17)15(2)25-26(20)23(28)21-10-7-13-29-21/h4-6,8-9,11-12,14,19,21H,3,7,10,13H2,1-2H3,(H,24,27)
InChIKeyLDZDLXJOFGAHDE-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.05
Rot. Bonds5

About 3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide

3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide (PubChem CID 71577664) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide
PubChem CID71577664
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-3-19(16-8-5-4-6-9-16)24-22(27)17-11-12-20-18(14-17)15(2)25-26(20)23(28)21-10-7-13-29-21/h4-6,8-9,11-12,14,19,21H,3,7,10,13H2,1-2H3,(H,24,27)
InChIKeyLDZDLXJOFGAHDE-UHFFFAOYSA-N
XLogP4.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide
CID 71075681
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005
1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 90380118
1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide
CID 71075876
N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46420066
N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide
CID 45178755
N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55372734
1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide
CID 71712096
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide?
The IUPAC name of 3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide (CID 71577664) is 3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide is CCC(NC(=O)c1ccc2c(c1)c(C)nn2C(=O)C1CCCO1)c1ccccc1.
What is the InChIKey of 3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide?
The InChIKey is LDZDLXJOFGAHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-19(16-8-5-4-6-9-16)24-22(27)17-11-12-20-18(14-17)15(2)25-26(20)23(28)21-10-7-13-29-21/h4-6,8-9,11-12,14,19,21H,3,7,10,13H2,1-2H3,(H,24,27).
What are the key properties of 3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide?
3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolane-2-carbonyl)-N-(1-phenylpropyl)indazole-5-carboxamide is sourced from PubChem (CID 71577664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).