4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

C12H18N2O2 — CID 11842370

IUPAC4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESCC1CCC(C(C)C)c2[nH]nc(C(=O)O)c21
InChIInChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)9-10(8)13-14-11(9)12(15)16/h6-8H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyNEANYZXFQVEEKG-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.74
Rot. Bonds2

About 4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 11842370) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID11842370
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESCC1CCC(C(C)C)c2[nH]nc(C(=O)O)c21
InChIInChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)9-10(8)13-14-11(9)12(15)16/h6-8H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyNEANYZXFQVEEKG-UHFFFAOYSA-N
XLogP2.74
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 11842370) is 4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is CC1CCC(C(C)C)c2[nH]nc(C(=O)O)c21.
What is the InChIKey of 4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is NEANYZXFQVEEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)9-10(8)13-14-11(9)12(15)16/h6-8H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 11842370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).