4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid

C16H24N2O2 — CID 130233526

IUPAC4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCC1(C)CCc2nn(C3CCC(C(=O)O)CC3)cc2C1
InChIInChI=1S/C16H24N2O2/c1-16(2)8-7-14-12(9-16)10-18(17-14)13-5-3-11(4-6-13)15(19)20/h10-11,13H,3-9H2,1-2H3,(H,19,20)
InChIKeyVAANNLRXZWVGHD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.21
Rot. Bonds2

About 4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid

4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 130233526) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID130233526
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCC1(C)CCc2nn(C3CCC(C(=O)O)CC3)cc2C1
InChIInChI=1S/C16H24N2O2/c1-16(2)8-7-14-12(9-16)10-18(17-14)13-5-3-11(4-6-13)15(19)20/h10-11,13H,3-9H2,1-2H3,(H,19,20)
InChIKeyVAANNLRXZWVGHD-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid (CID 130233526) is 4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid is CC1(C)CCc2nn(C3CCC(C(=O)O)CC3)cc2C1.
What is the InChIKey of 4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is VAANNLRXZWVGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)8-7-14-12(9-16)10-18(17-14)13-5-3-11(4-6-13)15(19)20/h10-11,13H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid?
4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-6,7-dihydro-4H-indazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 130233526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).