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

C15H20N4O2 — CID 79781367

IUPAC1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCCC1CCc2c(c(C(=O)O)nn2-c2ccn(C)n2)C1
InChIInChI=1S/C15H20N4O2/c1-3-4-10-5-6-12-11(9-10)14(15(20)21)17-19(12)13-7-8-18(2)16-13/h7-8,10H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyUOFIVKSUZZTMMM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.21
Rot. Bonds4

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

1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 79781367) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID79781367
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCCC1CCc2c(c(C(=O)O)nn2-c2ccn(C)n2)C1
InChIInChI=1S/C15H20N4O2/c1-3-4-10-5-6-12-11(9-10)14(15(20)21)17-19(12)13-7-8-18(2)16-13/h7-8,10H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyUOFIVKSUZZTMMM-UHFFFAOYSA-N
XLogP2.21
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 79781367) is 1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCCC1CCc2c(c(C(=O)O)nn2-c2ccn(C)n2)C1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is UOFIVKSUZZTMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-4-10-5-6-12-11(9-10)14(15(20)21)17-19(12)13-7-8-18(2)16-13/h7-8,10H,3-6,9H2,1-2H3,(H,20,21).
What are the key properties of 1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 79781367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).