2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide

C14H13FN6O — CID 46993505

IUPAC2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cn2cc(-c3ccccc3F)cn2)nn1
InChIInChI=1S/C14H13FN6O/c1-20-8-13(18-19-20)17-14(22)9-21-7-10(6-16-21)11-4-2-3-5-12(11)15/h2-8H,9H2,1H3,(H,17,22)
InChIKeyUCAJVABZNKNOMY-UHFFFAOYSA-N
MW300.30 g/mol
LogP1.46
Rot. Bonds4

About 2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide

2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide (PubChem CID 46993505) has the molecular formula C14H13FN6O and a molecular weight of 300.30 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide
PubChem CID46993505
Molecular FormulaC14H13FN6O
Molecular Weight300.30 g/mol
Exact Mass300.11
IUPAC Name2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cn2cc(-c3ccccc3F)cn2)nn1
InChIInChI=1S/C14H13FN6O/c1-20-8-13(18-19-20)17-14(22)9-21-7-10(6-16-21)11-4-2-3-5-12(11)15/h2-8H,9H2,1H3,(H,17,22)
InChIKeyUCAJVABZNKNOMY-UHFFFAOYSA-N
XLogP1.46
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide
CID 46996270
2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 121020133
2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
2-acetamido-N-[5-(2-fluorophenyl)-2-pyridinyl]acetamide
CID 141044330
1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166320415
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311
2-[4-(2-phenylphenyl)pyrazol-1-yl]acetamide
CID 121499014
2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide
CID 112535389
2-fluoro-6-(1-propylpyrazol-4-yl)benzoic acid
CID 114560299
2-(4-acetamidotriazol-1-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 112522503
N-(1-methyltriazol-4-yl)-2-pyridin-3-ylacetamide
CID 112535349
N-(1-methyltriazol-4-yl)butanamide
CID 130694162

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide (CID 46993505) is 2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide is Cn1cc(NC(=O)Cn2cc(-c3ccccc3F)cn2)nn1.
What is the InChIKey of 2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide?
The InChIKey is UCAJVABZNKNOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6O/c1-20-8-13(18-19-20)17-14(22)9-21-7-10(6-16-21)11-4-2-3-5-12(11)15/h2-8H,9H2,1H3,(H,17,22).
What are the key properties of 2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide?
2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide has a molecular weight of 300.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 46993505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).