N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C13H19N3O2 — CID 94913783

IUPACN-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C13H19N3O2/c17-13(14-8-9-4-3-7-18-9)12-10-5-1-2-6-11(10)15-16-12/h9H,1-8H2,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyYWLITUNTEMHFDX-VIFPVBQESA-N
MW249.31 g/mol
LogP1.20
Rot. Bonds3

About N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 94913783) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID94913783
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C13H19N3O2/c17-13(14-8-9-4-3-7-18-9)12-10-5-1-2-6-11(10)15-16-12/h9H,1-8H2,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyYWLITUNTEMHFDX-VIFPVBQESA-N
XLogP1.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53017368
N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388812
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146040992
5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874604
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
2-[[(2R)-oxolan-2-yl]methylcarbamoyl]cyclohexene-1-carboxylic acid
CID 40951021
N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 170232622
4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081323
N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 166414899
N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374367
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 94913783) is N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is YWLITUNTEMHFDX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(14-8-9-4-3-7-18-9)12-10-5-1-2-6-11(10)15-16-12/h9H,1-8H2,(H,14,17)(H,15,16)/t9-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 94913783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).