N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide

C14H19N3O3 — CID 71864031

IUPACN-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide
SMILESCOCC(O)CN(C)C(=O)Cn1ncc2ccccc21
InChIInChI=1S/C14H19N3O3/c1-16(8-12(18)10-20-2)14(19)9-17-13-6-4-3-5-11(13)7-15-17/h3-7,12,18H,8-10H2,1-2H3
InChIKeyVRBMHVWVGRNZDN-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.50
Rot. Bonds6

About N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide

N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide (PubChem CID 71864031) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide
PubChem CID71864031
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide
SMILESCOCC(O)CN(C)C(=O)Cn1ncc2ccccc21
InChIInChI=1S/C14H19N3O3/c1-16(8-12(18)10-20-2)14(19)9-17-13-6-4-3-5-11(13)7-15-17/h3-7,12,18H,8-10H2,1-2H3
InChIKeyVRBMHVWVGRNZDN-UHFFFAOYSA-N
XLogP0.50
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide (CID 71864031) is N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide is COCC(O)CN(C)C(=O)Cn1ncc2ccccc21.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide?
The InChIKey is VRBMHVWVGRNZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(8-12(18)10-20-2)14(19)9-17-13-6-4-3-5-11(13)7-15-17/h3-7,12,18H,8-10H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide?
N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide has a molecular weight of 277.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide is sourced from PubChem (CID 71864031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).