N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide

C13H15N3O3 — CID 91775053

IUPACN-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2ccccc12)[C@H]1COC[C@@H]1O
InChIInChI=1S/C13H15N3O3/c1-16(10-6-19-7-11(10)17)13(18)12-8-4-2-3-5-9(8)14-15-12/h2-5,10-11,17H,6-7H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyAVHGSQFIWMUMGQ-QWRGUYRKSA-N
MW261.28 g/mol
LogP0.39
Rot. Bonds2

About N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide

N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 91775053) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID91775053
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2ccccc12)[C@H]1COC[C@@H]1O
InChIInChI=1S/C13H15N3O3/c1-16(10-6-19-7-11(10)17)13(18)12-8-4-2-3-5-9(8)14-15-12/h2-5,10-11,17H,6-7H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyAVHGSQFIWMUMGQ-QWRGUYRKSA-N
XLogP0.39
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide (CID 91775053) is N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide is CN(C(=O)c1n[nH]c2ccccc12)[C@H]1COC[C@@H]1O.
What is the InChIKey of N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is AVHGSQFIWMUMGQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16(10-6-19-7-11(10)17)13(18)12-8-4-2-3-5-9(8)14-15-12/h2-5,10-11,17H,6-7H2,1H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide?
N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 91775053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).