N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H16F3N7O2 — CID 126832390

IUPACN-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCCN(C(=O)Cn1nc(C(F)(F)F)cc1C)c1nnnn1C
InChIInChI=1S/C12H16F3N7O2/c1-8-6-9(12(13,14)15)17-22(8)7-10(23)21(4-5-24-3)11-16-18-19-20(11)2/h6H,4-5,7H2,1-3H3
InChIKeyNQCXZCJSKRIUQC-UHFFFAOYSA-N
MW347.30 g/mol
LogP0.41
Rot. Bonds6

About N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 126832390) has the molecular formula C12H16F3N7O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID126832390
Molecular FormulaC12H16F3N7O2
Molecular Weight347.30 g/mol
Exact Mass347.13
IUPAC NameN-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCCN(C(=O)Cn1nc(C(F)(F)F)cc1C)c1nnnn1C
InChIInChI=1S/C12H16F3N7O2/c1-8-6-9(12(13,14)15)17-22(8)7-10(23)21(4-5-24-3)11-16-18-19-20(11)2/h6H,4-5,7H2,1-3H3
InChIKeyNQCXZCJSKRIUQC-UHFFFAOYSA-N
XLogP0.41
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 126832390) is N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COCCN(C(=O)Cn1nc(C(F)(F)F)cc1C)c1nnnn1C.
What is the InChIKey of N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is NQCXZCJSKRIUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N7O2/c1-8-6-9(12(13,14)15)17-22(8)7-10(23)21(4-5-24-3)11-16-18-19-20(11)2/h6H,4-5,7H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 347.30 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 126832390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).