1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid

C14H20N2O2 — CID 58559163

IUPAC1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCC1(C)CCc2c(C(=O)O)nn(CC3CC3)c2C1
InChIInChI=1S/C14H20N2O2/c1-14(2)6-5-10-11(7-14)16(8-9-3-4-9)15-12(10)13(17)18/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyQIRKIUSXCPTXCV-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.51
Rot. Bonds3

About 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid

1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid (PubChem CID 58559163) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid
PubChem CID58559163
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCC1(C)CCc2c(C(=O)O)nn(CC3CC3)c2C1
InChIInChI=1S/C14H20N2O2/c1-14(2)6-5-10-11(7-14)16(8-9-3-4-9)15-12(10)13(17)18/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyQIRKIUSXCPTXCV-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid (CID 58559163) is 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid is CC1(C)CCc2c(C(=O)O)nn(CC3CC3)c2C1.
What is the InChIKey of 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
The InChIKey is QIRKIUSXCPTXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)6-5-10-11(7-14)16(8-9-3-4-9)15-12(10)13(17)18/h9H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid is sourced from PubChem (CID 58559163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).