3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide

C18H21N3O2 — CID 127684249

IUPAC3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide
SMILESO=C(NC1CCc2cn[nH]c2C1)c1cccc(C2CCOC2)c1
InChIInChI=1S/C18H21N3O2/c22-18(20-16-5-4-14-10-19-21-17(14)9-16)13-3-1-2-12(8-13)15-6-7-23-11-15/h1-3,8,10,15-16H,4-7,9,11H2,(H,19,21)(H,20,22)
InChIKeyQCQLRZIKARUNMH-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.20
Rot. Bonds3

About 3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide

3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide (PubChem CID 127684249) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide.

Molecular Properties

Compound Name3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide
PubChem CID127684249
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide
SMILESO=C(NC1CCc2cn[nH]c2C1)c1cccc(C2CCOC2)c1
InChIInChI=1S/C18H21N3O2/c22-18(20-16-5-4-14-10-19-21-17(14)9-16)13-3-1-2-12(8-13)15-6-7-23-11-15/h1-3,8,10,15-16H,4-7,9,11H2,(H,19,21)(H,20,22)
InChIKeyQCQLRZIKARUNMH-UHFFFAOYSA-N
XLogP2.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-oxolan-3-yl]benzoic acid
CID 97055073
1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
CID 136584840
2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide
CID 126451545
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924
5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide
CID 126450711
3-[[4-(1-hydroxy-2-methylpropyl)triazol-1-yl]methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide
CID 166371837
2-oxo-2-[3-(oxolan-3-yl)phenyl]acetic acid
CID 117313843
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide
CID 126821504
3-(3-hydroxy-3-methylbutyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 70713171
1,5-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrazole-3-carboxamide
CID 127463103
2-hydroxy-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(trifluoromethyl)benzamide
CID 122138635

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide?
The IUPAC name of 3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide (CID 127684249) is 3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide.
What is the SMILES notation for 3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide?
The canonical SMILES for 3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide is O=C(NC1CCc2cn[nH]c2C1)c1cccc(C2CCOC2)c1.
What is the InChIKey of 3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide?
The InChIKey is QCQLRZIKARUNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(20-16-5-4-14-10-19-21-17(14)9-16)13-3-1-2-12(8-13)15-6-7-23-11-15/h1-3,8,10,15-16H,4-7,9,11H2,(H,19,21)(H,20,22).
What are the key properties of 3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide?
3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide has a molecular weight of 311.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide is sourced from PubChem (CID 127684249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).