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

C15H17FN4O — CID 110258413

IUPAC2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F
InChIInChI=1S/C15H17FN4O/c16-12-5-2-1-4-10(12)11-9-18-19-15(11)13-6-3-7-20(13)14(21)8-17/h1-2,4-5,9,13H,3,6-8,17H2,(H,18,19)
InChIKeyDOJKWHMGTMPOND-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.84
Rot. Bonds3

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

2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110258413) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
PubChem CID110258413
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F
InChIInChI=1S/C15H17FN4O/c16-12-5-2-1-4-10(12)11-9-18-19-15(11)13-6-3-7-20(13)14(21)8-17/h1-2,4-5,9,13H,3,6-8,17H2,(H,18,19)
InChIKeyDOJKWHMGTMPOND-UHFFFAOYSA-N
XLogP1.84
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone (CID 110258413) is 2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone is NCC(=O)N1CCCC1c1[nH]ncc1-c1ccccc1F.
What is the InChIKey of 2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is DOJKWHMGTMPOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-12-5-2-1-4-10(12)11-9-18-19-15(11)13-6-3-7-20(13)14(21)8-17/h1-2,4-5,9,13H,3,6-8,17H2,(H,18,19).
What are the key properties of 2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone?
2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 288.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110258413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).