N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

C17H16FN5O — CID 166231051

IUPACN-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESCCc1ncc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C17H16FN5O/c1-2-16-19-10-14(11-20-16)21-17(24)9-13-7-8-23(22-13)15-5-3-12(18)4-6-15/h3-8,10-11H,2,9H2,1H3,(H,21,24)
InChIKeyWIDJDUAPTBTQHG-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.55
Rot. Bonds5

About N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (PubChem CID 166231051) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
PubChem CID166231051
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC NameN-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESCCc1ncc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C17H16FN5O/c1-2-16-19-10-14(11-20-16)21-17(24)9-13-7-8-23(22-13)15-5-3-12(18)4-6-15/h3-8,10-11H,2,9H2,1H3,(H,21,24)
InChIKeyWIDJDUAPTBTQHG-UHFFFAOYSA-N
XLogP2.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166322622
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 155947299
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 71873510
N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 111483266
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
CID 166249171
2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35533172
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 71870126
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide
CID 71998650
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166287093
N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166286555
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide
CID 71991492
cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 167806359

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (CID 166231051) is N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is CCc1ncc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cn1.
What is the InChIKey of N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is WIDJDUAPTBTQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-2-16-19-10-14(11-20-16)21-17(24)9-13-7-8-23(22-13)15-5-3-12(18)4-6-15/h3-8,10-11H,2,9H2,1H3,(H,21,24).
What are the key properties of N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 325.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 166231051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).