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

C15H20N4O2 — CID 107463828

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCc1nn(C)cc1-n1nc(C(=O)O)c2c1CCC(C)C2
InChIInChI=1S/C15H20N4O2/c1-4-11-13(8-18(3)16-11)19-12-6-5-9(2)7-10(12)14(17-19)15(20)21/h8-9H,4-7H2,1-3H3,(H,20,21)
InChIKeyDANVLQWUZGHNCG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.99
Rot. Bonds3

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

1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 107463828) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID107463828
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCc1nn(C)cc1-n1nc(C(=O)O)c2c1CCC(C)C2
InChIInChI=1S/C15H20N4O2/c1-4-11-13(8-18(3)16-11)19-12-6-5-9(2)7-10(12)14(17-19)15(20)21/h8-9H,4-7H2,1-3H3,(H,20,21)
InChIKeyDANVLQWUZGHNCG-UHFFFAOYSA-N
XLogP1.99
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 107463828) is 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCc1nn(C)cc1-n1nc(C(=O)O)c2c1CCC(C)C2.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is DANVLQWUZGHNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-11-13(8-18(3)16-11)19-12-6-5-9(2)7-10(12)14(17-19)15(20)21/h8-9H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 107463828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).