N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide

C14H22N6O2 — CID 166380020

IUPACN-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCOCCn1ccc(NC(=O)Cc2nc(C(C)C)nn2C)n1
InChIInChI=1S/C14H22N6O2/c1-10(2)14-16-12(19(3)18-14)9-13(21)15-11-5-6-20(17-11)7-8-22-4/h5-6,10H,7-9H2,1-4H3,(H,15,17,21)
InChIKeyCLJJCEMHRRJDMA-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.96
Rot. Bonds7

About N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide

N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 166380020) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID166380020
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCOCCn1ccc(NC(=O)Cc2nc(C(C)C)nn2C)n1
InChIInChI=1S/C14H22N6O2/c1-10(2)14-16-12(19(3)18-14)9-13(21)15-11-5-6-20(17-11)7-8-22-4/h5-6,10H,7-9H2,1-4H3,(H,15,17,21)
InChIKeyCLJJCEMHRRJDMA-UHFFFAOYSA-N
XLogP0.96
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
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CID 118519251
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695
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CID 111432629
7-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]heptanamide;hydrochloride
CID 119767680
2-(1-benzylpyrazol-4-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 166259503
2-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]pentanamide;hydrochloride
CID 119314328
N-[1-(2-methoxyethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314318
(2R)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 95328936
5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide
CID 120630096
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea
CID 86803950

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide (CID 166380020) is N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide is COCCn1ccc(NC(=O)Cc2nc(C(C)C)nn2C)n1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is CLJJCEMHRRJDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-10(2)14-16-12(19(3)18-14)9-13(21)15-11-5-6-20(17-11)7-8-22-4/h5-6,10H,7-9H2,1-4H3,(H,15,17,21).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 166380020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).