1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C16H20N4O2 — CID 131922908

IUPAC1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccncc2)c2c1CCC(O)C2
InChIInChI=1S/C16H20N4O2/c1-2-20-14-4-3-12(21)9-13(14)15(19-20)16(22)18-10-11-5-7-17-8-6-11/h5-8,12,21H,2-4,9-10H2,1H3,(H,18,22)
InChIKeyOLEMYNIMLJRFGR-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.08
Rot. Bonds4

About 1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 131922908) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID131922908
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccncc2)c2c1CCC(O)C2
InChIInChI=1S/C16H20N4O2/c1-2-20-14-4-3-12(21)9-13(14)15(19-20)16(22)18-10-11-5-7-17-8-6-11/h5-8,12,21H,2-4,9-10H2,1H3,(H,18,22)
InChIKeyOLEMYNIMLJRFGR-UHFFFAOYSA-N
XLogP1.08
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 131922908) is 1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CCn1nc(C(=O)NCc2ccncc2)c2c1CCC(O)C2.
What is the InChIKey of 1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is OLEMYNIMLJRFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-20-14-4-3-12(21)9-13(14)15(19-20)16(22)18-10-11-5-7-17-8-6-11/h5-8,12,21H,2-4,9-10H2,1H3,(H,18,22).
What are the key properties of 1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 131922908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).