4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid

C16H17N3O2 — CID 172582132

IUPAC4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESN#Cc1ccc2cn(CC3CCC(C(=O)O)CC3)nc2c1
InChIInChI=1S/C16H17N3O2/c17-8-12-3-6-14-10-19(18-15(14)7-12)9-11-1-4-13(5-2-11)16(20)21/h3,6-7,10-11,13H,1-2,4-5,9H2,(H,20,21)
InChIKeyHCDSJCULCFEATR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.80
Rot. Bonds3

About 4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid

4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 172582132) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID172582132
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESN#Cc1ccc2cn(CC3CCC(C(=O)O)CC3)nc2c1
InChIInChI=1S/C16H17N3O2/c17-8-12-3-6-14-10-19(18-15(14)7-12)9-11-1-4-13(5-2-11)16(20)21/h3,6-7,10-11,13H,1-2,4-5,9H2,(H,20,21)
InChIKeyHCDSJCULCFEATR-UHFFFAOYSA-N
XLogP2.80
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid (CID 172582132) is 4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid is N#Cc1ccc2cn(CC3CCC(C(=O)O)CC3)nc2c1.
What is the InChIKey of 4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is HCDSJCULCFEATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-8-12-3-6-14-10-19(18-15(14)7-12)9-11-1-4-13(5-2-11)16(20)21/h3,6-7,10-11,13H,1-2,4-5,9H2,(H,20,21).
What are the key properties of 4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyanoindazol-2-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 172582132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).