2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide

C15H13F3N8O2 — CID 122182997

IUPAC2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
SMILESNNC(=O)c1cn(CC(=O)Nc2c(-c3ccccc3)n[nH]c2C(F)(F)F)nn1
InChIInChI=1S/C15H13F3N8O2/c16-15(17,18)13-12(11(23-24-13)8-4-2-1-3-5-8)20-10(27)7-26-6-9(22-25-26)14(28)21-19/h1-6H,7,19H2,(H,20,27)(H,21,28)(H,23,24)
InChIKeyMHUZTXSYJUMPIQ-UHFFFAOYSA-N
MW394.32 g/mol
LogP0.93
Rot. Bonds5

About 2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide

2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 122182997) has the molecular formula C15H13F3N8O2 and a molecular weight of 394.32 g/mol. Its IUPAC name is 2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
PubChem CID122182997
Molecular FormulaC15H13F3N8O2
Molecular Weight394.32 g/mol
Exact Mass394.11
IUPAC Name2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
SMILESNNC(=O)c1cn(CC(=O)Nc2c(-c3ccccc3)n[nH]c2C(F)(F)F)nn1
InChIInChI=1S/C15H13F3N8O2/c16-15(17,18)13-12(11(23-24-13)8-4-2-1-3-5-8)20-10(27)7-26-6-9(22-25-26)14(28)21-19/h1-6H,7,19H2,(H,20,27)(H,21,28)(H,23,24)
InChIKeyMHUZTXSYJUMPIQ-UHFFFAOYSA-N
XLogP0.93
TPSA143.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide (CID 122182997) is 2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide is NNC(=O)c1cn(CC(=O)Nc2c(-c3ccccc3)n[nH]c2C(F)(F)F)nn1.
What is the InChIKey of 2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is MHUZTXSYJUMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N8O2/c16-15(17,18)13-12(11(23-24-13)8-4-2-1-3-5-8)20-10(27)7-26-6-9(22-25-26)14(28)21-19/h1-6H,7,19H2,(H,20,27)(H,21,28)(H,23,24).
What are the key properties of 2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 394.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydrazinecarbonyl)triazol-1-yl]-N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 122182997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).