N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C15H19N3O2S — CID 111451703

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(O)(CNC(=O)c1n[nH]c2c1CCCC2)c1ccsc1
InChIInChI=1S/C15H19N3O2S/c1-15(20,10-6-7-21-8-10)9-16-14(19)13-11-4-2-3-5-12(11)17-18-13/h6-8,20H,2-5,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyVANMETGLJOJDHL-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.99
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 111451703) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID111451703
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(O)(CNC(=O)c1n[nH]c2c1CCCC2)c1ccsc1
InChIInChI=1S/C15H19N3O2S/c1-15(20,10-6-7-21-8-10)9-16-14(19)13-11-4-2-3-5-12(11)17-18-13/h6-8,20H,2-5,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyVANMETGLJOJDHL-UHFFFAOYSA-N
XLogP1.99
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111335461
N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111483509
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111335377
N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111483508
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 97445497
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 111452040
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 111451703) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC(O)(CNC(=O)c1n[nH]c2c1CCCC2)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is VANMETGLJOJDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(20,10-6-7-21-8-10)9-16-14(19)13-11-4-2-3-5-12(11)17-18-13/h6-8,20H,2-5,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 111451703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).