7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide

C12H19N3O2 — CID 137412950

IUPAC7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide
SMILESCNC(=O)n1cc2c(n1)C(O)C(C(C)C)CC2
InChIInChI=1S/C12H19N3O2/c1-7(2)9-5-4-8-6-15(12(17)13-3)14-10(8)11(9)16/h6-7,9,11,16H,4-5H2,1-3H3,(H,13,17)
InChIKeyYROJFLGONNELCL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.32
Rot. Bonds1

About 7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide

7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide (PubChem CID 137412950) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide
PubChem CID137412950
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide
SMILESCNC(=O)n1cc2c(n1)C(O)C(C(C)C)CC2
InChIInChI=1S/C12H19N3O2/c1-7(2)9-5-4-8-6-15(12(17)13-3)14-10(8)11(9)16/h6-7,9,11,16H,4-5H2,1-3H3,(H,13,17)
InChIKeyYROJFLGONNELCL-UHFFFAOYSA-N
XLogP1.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide?
The IUPAC name of 7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide (CID 137412950) is 7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide.
What is the SMILES notation for 7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide?
The canonical SMILES for 7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide is CNC(=O)n1cc2c(n1)C(O)C(C(C)C)CC2.
What is the InChIKey of 7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide?
The InChIKey is YROJFLGONNELCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)9-5-4-8-6-15(12(17)13-3)14-10(8)11(9)16/h6-7,9,11,16H,4-5H2,1-3H3,(H,13,17).
What are the key properties of 7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide?
7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxamide is sourced from PubChem (CID 137412950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).