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

C17H21FN4O — CID 71998650

IUPAC2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H21FN4O/c1-21-9-2-3-15(12-21)19-17(23)11-14-8-10-22(20-14)16-6-4-13(18)5-7-16/h4-8,10,15H,2-3,9,11-12H2,1H3,(H,19,23)
InChIKeyMCQMLACKILBOKH-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.76
Rot. Bonds4

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

2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide (PubChem CID 71998650) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide
PubChem CID71998650
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H21FN4O/c1-21-9-2-3-15(12-21)19-17(23)11-14-8-10-22(20-14)16-6-4-13(18)5-7-16/h4-8,10,15H,2-3,9,11-12H2,1H3,(H,19,23)
InChIKeyMCQMLACKILBOKH-UHFFFAOYSA-N
XLogP1.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 167806359
1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea
CID 97249783
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
CID 166249171
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166287093
N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166231051
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109400116
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 71873510
2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 146088301
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395031
N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166322622
(2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide
CID 97330409

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide (CID 71998650) is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide is CN1CCCC(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide?
The InChIKey is MCQMLACKILBOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-21-9-2-3-15(12-21)19-17(23)11-14-8-10-22(20-14)16-6-4-13(18)5-7-16/h4-8,10,15H,2-3,9,11-12H2,1H3,(H,19,23).
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide?
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 71998650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).