1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one

C16H18FN3O — CID 110258425

IUPAC1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-2-15(21)20-9-5-8-14(20)16-12(10-18-19-16)11-6-3-4-7-13(11)17/h3-4,6-7,10,14H,2,5,8-9H2,1H3,(H,18,19)
InChIKeyVWAOURJMIJFJRO-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.29
Rot. Bonds3

About 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one

1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110258425) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID110258425
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-2-15(21)20-9-5-8-14(20)16-12(10-18-19-16)11-6-3-4-7-13(11)17/h3-4,6-7,10,14H,2,5,8-9H2,1H3,(H,18,19)
InChIKeyVWAOURJMIJFJRO-UHFFFAOYSA-N
XLogP3.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135632208
1-(3-(4-Fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one
CID 57076369
2-[(3S,5R)-3-amino-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)piperidin-1-yl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone
CID 67977926
(S)-1-((3R,4R)-1-(4-(1H-pyrazol-5-yl)benzyl)-3-aminopyrrolidine-4-carbonyl)pyrrolidine-2-carbonitrile
CID 44443353
N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 44522213
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 72024775
2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
CID 135650782
US10343992, Example 85
CID 122590691
2-(1-cyanopyrrolidin-3-ylidene)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 141757233
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 165138612
(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 165140747

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one (CID 110258425) is 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is VWAOURJMIJFJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-15(21)20-9-5-8-14(20)16-12(10-18-19-16)11-6-3-4-7-13(11)17/h3-4,6-7,10,14H,2,5,8-9H2,1H3,(H,18,19).
What are the key properties of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one?
1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 287.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110258425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).