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

C16H20ClFN4O — CID 118741841

IUPAC1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F.Cl
InChIInChI=1S/C16H19FN4O.ClH/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);1H
InChIKeyDQAQVBMBRFVGMF-UHFFFAOYSA-N
MW338.81 g/mol
LogP2.52
Rot. Bonds4

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

1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 118741841) has the molecular formula C16H20ClFN4O and a molecular weight of 338.81 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID118741841
Molecular FormulaC16H20ClFN4O
Molecular Weight338.81 g/mol
Exact Mass338.13
IUPAC Name1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F.Cl
InChIInChI=1S/C16H19FN4O.ClH/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);1H
InChIKeyDQAQVBMBRFVGMF-UHFFFAOYSA-N
XLogP2.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride (CID 118741841) is 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F.Cl.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is DQAQVBMBRFVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O.ClH/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);1H.
What are the key properties of 1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 338.81 g/mol, XLogP of 2.52, 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;hydrochloride is sourced from PubChem (CID 118741841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).