3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile

C18H15N3O — CID 175435819

IUPAC3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile
SMILESCOc1ccc(-c2cccc(C#N)c2)c2cn(C3CC3)nc12
InChIInChI=1S/C18H15N3O/c1-22-17-8-7-15(13-4-2-3-12(9-13)10-19)16-11-21(14-5-6-14)20-18(16)17/h2-4,7-9,11,14H,5-6H2,1H3
InChIKeyMZMLEUMCTBJGJY-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.92
Rot. Bonds3

About 3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile

3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile (PubChem CID 175435819) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile
PubChem CID175435819
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile
SMILESCOc1ccc(-c2cccc(C#N)c2)c2cn(C3CC3)nc12
InChIInChI=1S/C18H15N3O/c1-22-17-8-7-15(13-4-2-3-12(9-13)10-19)16-11-21(14-5-6-14)20-18(16)17/h2-4,7-9,11,14H,5-6H2,1H3
InChIKeyMZMLEUMCTBJGJY-UHFFFAOYSA-N
XLogP3.92
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole
CID 172638504
2-Cyclopropyl-7-(difluoromethoxy)-4-(2-methoxy-4-pyridinyl)indazole
CID 175435811
3-(2-Cyclopropyl-7-methoxyindazol-4-yl)benzamide
CID 175435812
2-Cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole
CID 175435814
2-Cyclopropyl-7-methoxy-4-pyridin-4-ylindazole
CID 175435815
1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 175435816
1-(2-Cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile
CID 175435818
1-[3-[2-Cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone
CID 175435820
3-Benzyl-5-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile
CID 175435821
2-Cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole
CID 175435826
1-[3-(2-Cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone
CID 175435827
2-Cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole
CID 175435828

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile?
The IUPAC name of 3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile (CID 175435819) is 3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile.
What is the SMILES notation for 3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile?
The canonical SMILES for 3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile is COc1ccc(-c2cccc(C#N)c2)c2cn(C3CC3)nc12.
What is the InChIKey of 3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile?
The InChIKey is MZMLEUMCTBJGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-22-17-8-7-15(13-4-2-3-12(9-13)10-19)16-11-21(14-5-6-14)20-18(16)17/h2-4,7-9,11,14H,5-6H2,1H3.
What are the key properties of 3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile?
3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile is sourced from PubChem (CID 175435819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).