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

C11H15N7O2 — CID 112525274

IUPAC2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2c(C)n[nH]c2C)nn1
InChIInChI=1S/C11H15N7O2/c1-6-11(7(2)15-14-6)13-10(20)5-18-4-9(16-17-18)12-8(3)19/h4H,5H2,1-3H3,(H,12,19)(H,13,20)(H,14,15)
InChIKeyPHVMBOLTOTVPOJ-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.22
Rot. Bonds4

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

2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 112525274) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID112525274
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2c(C)n[nH]c2C)nn1
InChIInChI=1S/C11H15N7O2/c1-6-11(7(2)15-14-6)13-10(20)5-18-4-9(16-17-18)12-8(3)19/h4H,5H2,1-3H3,(H,12,19)(H,13,20)(H,14,15)
InChIKeyPHVMBOLTOTVPOJ-UHFFFAOYSA-N
XLogP0.22
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525290
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 116641691
2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 112521770
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]acetamide
CID 167790357
N-[1-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112530014
2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 112525060
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 112524804
2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
CID 112524098
N-[1-(aminomethyl)triazol-4-yl]acetamide
CID 129156156
2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 112525667
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 43546402

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 112525274) is 2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is CC(=O)Nc1cn(CC(=O)Nc2c(C)n[nH]c2C)nn1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is PHVMBOLTOTVPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-6-11(7(2)15-14-6)13-10(20)5-18-4-9(16-17-18)12-8(3)19/h4H,5H2,1-3H3,(H,12,19)(H,13,20)(H,14,15).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 277.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 112525274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).