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

C15H18F2N4O2 — CID 95133088

IUPAC1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2N4O2/c1-10(9-21-6-2-5-19-21)20-15(23)18-8-14(22)12-4-3-11(16)7-13(12)17/h2-7,10,14,22H,8-9H2,1H3,(H2,18,20,23)/t10-,14-/m1/s1
InChIKeyPLTAWQDGWPYZPC-QMTHXVAHSA-N
MW324.33 g/mol
LogP1.58
Rot. Bonds6

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

1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 95133088) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID95133088
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2N4O2/c1-10(9-21-6-2-5-19-21)20-15(23)18-8-14(22)12-4-3-11(16)7-13(12)17/h2-7,10,14,22H,8-9H2,1H3,(H2,18,20,23)/t10-,14-/m1/s1
InChIKeyPLTAWQDGWPYZPC-QMTHXVAHSA-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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Related Compounds

1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95129996
(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200232
(1R)-1-(2,5-difluorophenyl)-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200233
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103829742
1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027605
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 94172086
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 104916779
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(3-ethylphenyl)urea
CID 51944769
3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide
CID 38610317

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (CID 95133088) is 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is C[C@H](Cn1cccn1)NC(=O)NC[C@@H](O)c1ccc(F)cc1F.
What is the InChIKey of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is PLTAWQDGWPYZPC-QMTHXVAHSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-10(9-21-6-2-5-19-21)20-15(23)18-8-14(22)12-4-3-11(16)7-13(12)17/h2-7,10,14,22H,8-9H2,1H3,(H2,18,20,23)/t10-,14-/m1/s1.
What are the key properties of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-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-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 95133088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).