1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea

C16H20F2N4O — CID 20964016

IUPAC1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCCn1nc(C)c(CCNC(=O)Nc2cc(F)ccc2F)c1C
InChIInChI=1S/C16H20F2N4O/c1-4-22-11(3)13(10(2)21-22)7-8-19-16(23)20-15-9-12(17)5-6-14(15)18/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,23)
InChIKeyJLDNLBISULXMKN-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.16
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea

1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea (PubChem CID 20964016) has the molecular formula C16H20F2N4O and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea
PubChem CID20964016
Molecular FormulaC16H20F2N4O
Molecular Weight322.36 g/mol
Exact Mass322.16
IUPAC Name1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCCn1nc(C)c(CCNC(=O)Nc2cc(F)ccc2F)c1C
InChIInChI=1S/C16H20F2N4O/c1-4-22-11(3)13(10(2)21-22)7-8-19-16(23)20-15-9-12(17)5-6-14(15)18/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,23)
InChIKeyJLDNLBISULXMKN-UHFFFAOYSA-N
XLogP3.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea
CID 20963995
N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 1225270
1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119455
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea
CID 20964116
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 56824177
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
CID 47032101
1-(2,5-difluorophenyl)-3-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea
CID 122328643
1-(2,5-difluorophenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122307361
(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 95130797
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea (CID 20964016) is 1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea is CCn1nc(C)c(CCNC(=O)Nc2cc(F)ccc2F)c1C.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is JLDNLBISULXMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O/c1-4-22-11(3)13(10(2)21-22)7-8-19-16(23)20-15-9-12(17)5-6-14(15)18/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea?
1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 322.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 20964016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).