N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide

C9H13N7O — CID 112793457

IUPACN-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)Cn1cnnn1
InChIInChI=1S/C9H13N7O/c1-7(2)16-8(3-4-11-16)12-9(17)5-15-6-10-13-14-15/h3-4,6-7H,5H2,1-2H3,(H,12,17)
InChIKeyQDESVVKVOWKHGQ-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.09
Rot. Bonds4

About N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide

N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide (PubChem CID 112793457) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
PubChem CID112793457
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)Cn1cnnn1
InChIInChI=1S/C9H13N7O/c1-7(2)16-8(3-4-11-16)12-9(17)5-15-6-10-13-14-15/h3-4,6-7H,5H2,1-2H3,(H,12,17)
InChIKeyQDESVVKVOWKHGQ-UHFFFAOYSA-N
XLogP0.09
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-piperidin-1-yl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155912
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 9205498
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372
2-(2-oxo-1-pyridinyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47106513
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
CID 167901485
N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
CID 60533950
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide
CID 126779440
propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
CID 17404193

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide (CID 112793457) is N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide is CC(C)n1nccc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is QDESVVKVOWKHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-7(2)16-8(3-4-11-16)12-9(17)5-15-6-10-13-14-15/h3-4,6-7H,5H2,1-2H3,(H,12,17).
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide?
N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 235.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 112793457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).