2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide

C9H12N6O — CID 138027211

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)Nc1cn[nH]n1
InChIInChI=1S/C9H12N6O/c1-5-7(6(2)13-12-5)3-9(16)11-8-4-10-15-14-8/h4H,3H2,1-2H3,(H,12,13)(H2,10,11,14,15,16)
InChIKeyXGJQAYUSUBIISX-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.33
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide (PubChem CID 138027211) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide
PubChem CID138027211
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)Nc1cn[nH]n1
InChIInChI=1S/C9H12N6O/c1-5-7(6(2)13-12-5)3-9(16)11-8-4-10-15-14-8/h4H,3H2,1-2H3,(H,12,13)(H2,10,11,14,15,16)
InChIKeyXGJQAYUSUBIISX-UHFFFAOYSA-N
XLogP0.33
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-phenylphenyl)acetamide
CID 9319157
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide
CID 99829231
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 110695347
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61221604
N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110695334
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 51072997
N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110695352
5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356625
5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid
CID 63654718
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]acetamide
CID 126796562
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxypropyl)acetamide
CID 43501139

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide (CID 138027211) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)Nc1cn[nH]n1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide?
The InChIKey is XGJQAYUSUBIISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-5-7(6(2)13-12-5)3-9(16)11-8-4-10-15-14-8/h4H,3H2,1-2H3,(H,12,13)(H2,10,11,14,15,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide has a molecular weight of 220.24 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide is sourced from PubChem (CID 138027211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).