N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide

C9H13N3O — CID 20546780

IUPACN-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
SMILESCC(=O)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C9H13N3O/c1-6(13)11-8-3-2-7-5-10-12-9(7)4-8/h5,8H,2-4H2,1H3,(H,10,12)(H,11,13)
InChIKeyRONHRBYFNLLDLK-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.40
Rot. Bonds1

About N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide

N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide (PubChem CID 20546780) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
PubChem CID20546780
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
SMILESCC(=O)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C9H13N3O/c1-6(13)11-8-3-2-7-5-10-12-9(7)4-8/h5,8H,2-4H2,1H3,(H,10,12)(H,11,13)
InChIKeyRONHRBYFNLLDLK-UHFFFAOYSA-N
XLogP0.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide
CID 126821504
2-[1-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-6-ylamino)ethyl]cyclohexyl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 166218088
2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide
CID 126451545
1,5-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrazole-3-carboxamide
CID 127463103
N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
CID 124860523
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
CID 124738271
2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide
CID 125462160
methyl 5-[[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]carbamoylamino]thiophene-3-carboxylate
CID 124889142
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 95566509
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 129322075

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide (CID 20546780) is N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide is CC(=O)NC1CCc2cn[nH]c2C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide?
The InChIKey is RONHRBYFNLLDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(13)11-8-3-2-7-5-10-12-9(7)4-8/h5,8H,2-4H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide?
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide has a molecular weight of 179.22 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide is sourced from PubChem (CID 20546780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).