4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one

C15H14FN5O — CID 118741279

IUPAC4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]cc1-c1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C15H14FN5O/c16-11-3-1-10(2-4-11)5-7-17-15-18-8-6-13(20-15)12-9-19-21-14(12)22/h1-4,6,8-9H,5,7H2,(H,17,18,20)(H2,19,21,22)
InChIKeyYBWFJKVVIKFBLZ-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.95
Rot. Bonds5

About 4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one

4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one (PubChem CID 118741279) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one
PubChem CID118741279
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]cc1-c1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C15H14FN5O/c16-11-3-1-10(2-4-11)5-7-17-15-18-8-6-13(20-15)12-9-19-21-14(12)22/h1-4,6,8-9H,5,7H2,(H,17,18,20)(H2,19,21,22)
InChIKeyYBWFJKVVIKFBLZ-UHFFFAOYSA-N
XLogP1.95
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one (CID 118741279) is 4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one is O=c1[nH][nH]cc1-c1ccnc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one?
The InChIKey is YBWFJKVVIKFBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-11-3-1-10(2-4-11)5-7-17-15-18-8-6-13(20-15)12-9-19-21-14(12)22/h1-4,6,8-9H,5,7H2,(H,17,18,20)(H2,19,21,22).
What are the key properties of 4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one?
4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one has a molecular weight of 299.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 118741279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).