N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide

C15H16FN3O — CID 59420535

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide
SMILESCn1nc(C2CC2)cc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-19-14(9-13(18-19)11-4-5-11)17-15(20)8-10-2-6-12(16)7-3-10/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,17,20)
InChIKeyNEJUMFCRQKEJPR-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.62
Rot. Bonds4

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 59420535) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide
PubChem CID59420535
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide
SMILESCn1nc(C2CC2)cc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-19-14(9-13(18-19)11-4-5-11)17-15(20)8-10-2-6-12(16)7-3-10/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,17,20)
InChIKeyNEJUMFCRQKEJPR-UHFFFAOYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide (CID 59420535) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide is Cn1nc(C2CC2)cc1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is NEJUMFCRQKEJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19-14(9-13(18-19)11-4-5-11)17-15(20)8-10-2-6-12(16)7-3-10/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,17,20).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 273.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 59420535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).