1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone

C19H16F2N2O2 — CID 175435820

IUPAC1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)c1
InChIInChI=1S/C19H16F2N2O2/c1-11(24)12-3-2-4-13(9-12)15-7-8-17(25-19(20)21)18-16(15)10-23(22-18)14-5-6-14/h2-4,7-10,14,19H,5-6H2,1H3
InChIKeyWGOPITMVUZFSIC-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.84
Rot. Bonds5

About 1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone

1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone (PubChem CID 175435820) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone
PubChem CID175435820
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)c1
InChIInChI=1S/C19H16F2N2O2/c1-11(24)12-3-2-4-13(9-12)15-7-8-17(25-19(20)21)18-16(15)10-23(22-18)14-5-6-14/h2-4,7-10,14,19H,5-6H2,1H3
InChIKeyWGOPITMVUZFSIC-UHFFFAOYSA-N
XLogP4.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.84
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
4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 175435808
N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide
CID 175435809
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
1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide
CID 175435817
3-(2-Cyclopropyl-7-methoxyindazol-4-yl)benzonitrile
CID 175435819
3-Benzyl-5-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile
CID 175435821
1-[3-(2-Cyclopropyl-7-methoxyindazol-4-yl)phenyl]ethanone
CID 175435827
2-Cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole
CID 175435828
1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 175435829

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone (CID 175435820) is 1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone is CC(=O)c1cccc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)c1.
What is the InChIKey of 1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone?
The InChIKey is WGOPITMVUZFSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-11(24)12-3-2-4-13(9-12)15-7-8-17(25-19(20)21)18-16(15)10-23(22-18)14-5-6-14/h2-4,7-10,14,19H,5-6H2,1H3.
What are the key properties of 1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone?
1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone has a molecular weight of 342.35 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone is sourced from PubChem (CID 175435820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).