2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

C16H19FN4O2 — CID 110017108

IUPAC2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(NC/C=C/c2ccc(F)cc2)cn1)NCCO
InChIInChI=1S/C16H19FN4O2/c17-14-5-3-13(4-6-14)2-1-7-18-15-10-20-21(11-15)12-16(23)19-8-9-22/h1-6,10-11,18,22H,7-9,12H2,(H,19,23)/b2-1+
InChIKeyQYPFTENRENOWFG-OWOJBTEDSA-N
MW318.35 g/mol
LogP1.26
Rot. Bonds8

About 2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 110017108) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID110017108
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(NC/C=C/c2ccc(F)cc2)cn1)NCCO
InChIInChI=1S/C16H19FN4O2/c17-14-5-3-13(4-6-14)2-1-7-18-15-10-20-21(11-15)12-16(23)19-8-9-22/h1-6,10-11,18,22H,7-9,12H2,(H,19,23)/b2-1+
InChIKeyQYPFTENRENOWFG-OWOJBTEDSA-N
XLogP1.26
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (CID 110017108) is 2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is O=C(Cn1cc(NC/C=C/c2ccc(F)cc2)cn1)NCCO.
What is the InChIKey of 2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is QYPFTENRENOWFG-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-14-5-3-13(4-6-14)2-1-7-18-15-10-20-21(11-15)12-16(23)19-8-9-22/h1-6,10-11,18,22H,7-9,12H2,(H,19,23)/b2-1+.
What are the key properties of 2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 318.35 g/mol, XLogP of 1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 110017108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).