N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide

C12H19N7O — CID 46997560

IUPACN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C12H19N7O/c1-4-10(5-2)19-11(6-9(3)15-19)14-12(20)7-18-8-13-16-17-18/h6,8,10H,4-5,7H2,1-3H3,(H,14,20)
InChIKeyODZNEZNCVUTJPJ-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.18
Rot. Bonds6

About N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide

N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide (PubChem CID 46997560) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
PubChem CID46997560
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C12H19N7O/c1-4-10(5-2)19-11(6-9(3)15-19)14-12(20)7-18-8-13-16-17-18/h6,8,10H,4-5,7H2,1-3H3,(H,14,20)
InChIKeyODZNEZNCVUTJPJ-UHFFFAOYSA-N
XLogP1.18
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-pyrazol-1-ylpropanamide
CID 45885693
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 46981201
N-(2,5-dimethylpyrazol-3-yl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53571503
N-(2,5-dimethylpyrazol-3-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 53609081
N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 56780136
N-(2,5-dimethylpyrazol-3-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 56780153
N-(2,5-dimethylpyrazol-3-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56780491
N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 56802070
N-(2,5-dimethylpyrazol-3-yl)-2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide
CID 72142326
N-(2,5-dimethylpyrazol-3-yl)-2-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 72149468
N-(2,5-dimethylpyrazol-3-yl)-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 72149514
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide
CID 155536013

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide (CID 46997560) is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide is CCC(CC)n1nc(C)cc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is ODZNEZNCVUTJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-4-10(5-2)19-11(6-9(3)15-19)14-12(20)7-18-8-13-16-17-18/h6,8,10H,4-5,7H2,1-3H3,(H,14,20).
What are the key properties of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide?
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 277.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 46997560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).