3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile

C19H16ClN3O — CID 22480117

IUPAC3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1ccc(Cl)cc1)nn2C1CCCCO1
InChIInChI=1S/C19H16ClN3O/c20-15-7-5-14(6-8-15)19-16-11-13(12-21)4-9-17(16)23(22-19)18-3-1-2-10-24-18/h4-9,11,18H,1-3,10H2
InChIKeySFHNCSQWFSYTQI-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.93
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile

3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile (PubChem CID 22480117) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
PubChem CID22480117
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1ccc(Cl)cc1)nn2C1CCCCO1
InChIInChI=1S/C19H16ClN3O/c20-15-7-5-14(6-8-15)19-16-11-13(12-21)4-9-17(16)23(22-19)18-3-1-2-10-24-18/h4-9,11,18H,1-3,10H2
InChIKeySFHNCSQWFSYTQI-UHFFFAOYSA-N
XLogP4.93
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methylpropoxy)phenyl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480050
1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile
CID 22479759
1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile
CID 68908077
3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethynyl)indazole
CID 22480208
3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68907708
3-[6-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68904120
1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile
CID 68905849
3-[6-[3-(2,6-dimethylpiperidin-1-yl)propoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68906154
N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide
CID 87828255
3-[7-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68909557
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid
CID 166835900

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile (CID 22480117) is 3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile is N#Cc1ccc2c(c1)c(-c1ccc(Cl)cc1)nn2C1CCCCO1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The InChIKey is SFHNCSQWFSYTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-15-7-5-14(6-8-15)19-16-11-13(12-21)4-9-17(16)23(22-19)18-3-1-2-10-24-18/h4-9,11,18H,1-3,10H2.
What are the key properties of 3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile has a molecular weight of 337.81 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile is sourced from PubChem (CID 22480117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).