1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C12H14N4O2 — CID 79779306

IUPAC1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCn1cc(-n2nc(C(=O)O)c3c2CCCC3)cn1
InChIInChI=1S/C12H14N4O2/c1-15-7-8(6-13-15)16-10-5-3-2-4-9(10)11(14-16)12(17)18/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyFVZTYNFAJVWWLW-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.18
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 79779306) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID79779306
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCn1cc(-n2nc(C(=O)O)c3c2CCCC3)cn1
InChIInChI=1S/C12H14N4O2/c1-15-7-8(6-13-15)16-10-5-3-2-4-9(10)11(14-16)12(17)18/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyFVZTYNFAJVWWLW-UHFFFAOYSA-N
XLogP1.18
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 79779306) is 1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is Cn1cc(-n2nc(C(=O)O)c3c2CCCC3)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is FVZTYNFAJVWWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-15-7-8(6-13-15)16-10-5-3-2-4-9(10)11(14-16)12(17)18/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 79779306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).