1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone

C16H19FN4O — CID 110258420

IUPAC1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F
InChIInChI=1S/C16H19FN4O/c1-18-10-15(22)21-8-4-7-14(21)16-12(9-19-20-16)11-5-2-3-6-13(11)17/h2-3,5-6,9,14,18H,4,7-8,10H2,1H3,(H,19,20)
InChIKeyHGPYZOOPSFNCNW-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone

1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone (PubChem CID 110258420) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone
PubChem CID110258420
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F
InChIInChI=1S/C16H19FN4O/c1-18-10-15(22)21-8-4-7-14(21)16-12(9-19-20-16)11-5-2-3-6-13(11)17/h2-3,5-6,9,14,18H,4,7-8,10H2,1H3,(H,19,20)
InChIKeyHGPYZOOPSFNCNW-UHFFFAOYSA-N
XLogP2.10
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone (CID 110258420) is 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is HGPYZOOPSFNCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-18-10-15(22)21-8-4-7-14(21)16-12(9-19-20-16)11-5-2-3-6-13(11)17/h2-3,5-6,9,14,18H,4,7-8,10H2,1H3,(H,19,20).
What are the key properties of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 302.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 110258420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).