1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

C15H18F2N4O2 — CID 51083074

IUPAC1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N4O2/c1-10(9-21-6-2-5-19-21)20-15(23)18-8-14(22)11-3-4-12(16)13(17)7-11/h2-7,10,14,22H,8-9H2,1H3,(H2,18,20,23)
InChIKeyFYHTWYFTDPIGIB-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.58
Rot. Bonds6

About 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 51083074) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID51083074
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N4O2/c1-10(9-21-6-2-5-19-21)20-15(23)18-8-14(22)11-3-4-12(16)13(17)7-11/h2-7,10,14,22H,8-9H2,1H3,(H2,18,20,23)
InChIKeyFYHTWYFTDPIGIB-UHFFFAOYSA-N
XLogP1.58
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 51083074) is 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is CC(Cn1cccn1)NC(=O)NCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is FYHTWYFTDPIGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-10(9-21-6-2-5-19-21)20-15(23)18-8-14(22)11-3-4-12(16)13(17)7-11/h2-7,10,14,22H,8-9H2,1H3,(H2,18,20,23).
What are the key properties of 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 324.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 51083074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).