1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea

C15H18F2N4O — CID 96520019

IUPAC1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1cnn(C)c1
InChIInChI=1S/C15H18F2N4O/c1-9(11-7-18-21(3)8-11)19-15(22)20-10(2)13-5-4-12(16)6-14(13)17/h4-10H,1-3H3,(H2,19,20,22)/t9-,10+/m0/s1
InChIKeyNUBIARSRPRZOGT-VHSXEESVSA-N
MW308.33 g/mol
LogP2.82
Rot. Bonds4

About 1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea

1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 96520019) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID96520019
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1cnn(C)c1
InChIInChI=1S/C15H18F2N4O/c1-9(11-7-18-21(3)8-11)19-15(22)20-10(2)13-5-4-12(16)6-14(13)17/h4-10H,1-3H3,(H2,19,20,22)/t9-,10+/m0/s1
InChIKeyNUBIARSRPRZOGT-VHSXEESVSA-N
XLogP2.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96520021
4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 99717451
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43224040
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
1-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453811
(2S,3R)-3-hydroxy-2-[1-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114286382
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147173
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97218514
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97101111

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea (CID 96520019) is 1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea is C[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1cnn(C)c1.
What is the InChIKey of 1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is NUBIARSRPRZOGT-VHSXEESVSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-9(11-7-18-21(3)8-11)19-15(22)20-10(2)13-5-4-12(16)6-14(13)17/h4-10H,1-3H3,(H2,19,20,22)/t9-,10+/m0/s1.
What are the key properties of 1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 308.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 96520019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).