N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide

C17H17FN6O — CID 146135413

IUPACN-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide
SMILESCn1cc(-c2cn(C(C(=O)NC3CC3)c3ccc(F)cc3)nn2)cn1
InChIInChI=1S/C17H17FN6O/c1-23-9-12(8-19-23)15-10-24(22-21-15)16(17(25)20-14-6-7-14)11-2-4-13(18)5-3-11/h2-5,8-10,14,16H,6-7H2,1H3,(H,20,25)
InChIKeyBXLGDVPOSXKVCB-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.69
Rot. Bonds5

About N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide

N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide (PubChem CID 146135413) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide
PubChem CID146135413
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC NameN-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide
SMILESCn1cc(-c2cn(C(C(=O)NC3CC3)c3ccc(F)cc3)nn2)cn1
InChIInChI=1S/C17H17FN6O/c1-23-9-12(8-19-23)15-10-24(22-21-15)16(17(25)20-14-6-7-14)11-2-4-13(18)5-3-11/h2-5,8-10,14,16H,6-7H2,1H3,(H,20,25)
InChIKeyBXLGDVPOSXKVCB-UHFFFAOYSA-N
XLogP1.69
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide (CID 146135413) is N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide is Cn1cc(-c2cn(C(C(=O)NC3CC3)c3ccc(F)cc3)nn2)cn1.
What is the InChIKey of N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide?
The InChIKey is BXLGDVPOSXKVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-23-9-12(8-19-23)15-10-24(22-21-15)16(17(25)20-14-6-7-14)11-2-4-13(18)5-3-11/h2-5,8-10,14,16H,6-7H2,1H3,(H,20,25).
What are the key properties of N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide?
N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide has a molecular weight of 340.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)triazol-1-yl]acetamide is sourced from PubChem (CID 146135413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).