2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide

C9H13N3O — CID 142249158

IUPAC2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
SMILESNC(=O)CC1CCc2[nH]ncc2C1
InChIInChI=1S/C9H13N3O/c10-9(13)4-6-1-2-8-7(3-6)5-11-12-8/h5-6H,1-4H2,(H2,10,13)(H,11,12)
InChIKeySRZOIGVHGPDCIS-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.39
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide

2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide (PubChem CID 142249158) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
PubChem CID142249158
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
SMILESNC(=O)CC1CCc2[nH]ncc2C1
InChIInChI=1S/C9H13N3O/c10-9(13)4-6-1-2-8-7(3-6)5-11-12-8/h5-6H,1-4H2,(H2,10,13)(H,11,12)
InChIKeySRZOIGVHGPDCIS-UHFFFAOYSA-N
XLogP0.39
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 86330706
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine
CID 84717090
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 129322075
1-(2-amino-2-oxoethyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperidine-4-carboxamide
CID 97119621
2-(3,4-dioxocyclohexyl)acetamide
CID 167051980
2-(aminomethyl)-N-[1-oxo-1-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethylamino)butan-2-yl]-3,3-diphenylpropanamide
CID 142095884
benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate
CID 175325896
[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 167865934
(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 118699358
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 163295899
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 95566509
2-[(1S,2R)-2-aminocyclopentyl]-1-(4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-5-yl)ethanone
CID 167905887

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide (CID 142249158) is 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide is NC(=O)CC1CCc2[nH]ncc2C1.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?
The InChIKey is SRZOIGVHGPDCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9(13)4-6-1-2-8-7(3-6)5-11-12-8/h5-6H,1-4H2,(H2,10,13)(H,11,12).
What are the key properties of 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?
2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide has a molecular weight of 179.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide is sourced from PubChem (CID 142249158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).