2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide

C12H19N7O — CID 146107580

IUPAC2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide
SMILESCN(CCn1cccn1)C(=O)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C12H19N7O/c1-12(2,3)19-15-10(14-16-19)11(20)17(4)8-9-18-7-5-6-13-18/h5-7H,8-9H2,1-4H3
InChIKeyOXKHNLMFKLTESK-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.40
Rot. Bonds4

About 2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide

2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide (PubChem CID 146107580) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide
PubChem CID146107580
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide
SMILESCN(CCn1cccn1)C(=O)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C12H19N7O/c1-12(2,3)19-15-10(14-16-19)11(20)17(4)8-9-18-7-5-6-13-18/h5-7H,8-9H2,1-4H3
InChIKeyOXKHNLMFKLTESK-UHFFFAOYSA-N
XLogP0.40
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,5-dimethyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77091738
2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid
CID 62822178
2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 50966447
N-methyl-N-(2-pyrazol-1-ylethyl)-2-(2H-tetrazol-5-yl)benzamide
CID 74236191
3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 119886219
N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 74247171
2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide
CID 74242651
1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
CID 173085347
1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea
CID 72935395
1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 56787636
N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 74233483
N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide
CID 131925005

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide (CID 146107580) is 2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide is CN(CCn1cccn1)C(=O)c1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide?
The InChIKey is OXKHNLMFKLTESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-12(2,3)19-15-10(14-16-19)11(20)17(4)8-9-18-7-5-6-13-18/h5-7H,8-9H2,1-4H3.
What are the key properties of 2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide?
2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide is sourced from PubChem (CID 146107580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).