1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

C15H19FN4O3 — CID 94031186

IUPAC1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCOCCn1cc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H19FN4O3/c1-23-7-6-20-10-13(8-18-20)19-15(22)17-9-14(21)11-2-4-12(16)5-3-11/h2-5,8,10,14,21H,6-7,9H2,1H3,(H2,17,19,22)/t14-/m1/s1
InChIKeyYOTOIPVLZDCAJR-CQSZACIVSA-N
MW322.34 g/mol
LogP1.52
Rot. Bonds7

About 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (PubChem CID 94031186) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
PubChem CID94031186
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC Name1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCOCCn1cc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H19FN4O3/c1-23-7-6-20-10-13(8-18-20)19-15(22)17-9-14(21)11-2-4-12(16)5-3-11/h2-5,8,10,14,21H,6-7,9H2,1H3,(H2,17,19,22)/t14-/m1/s1
InChIKeyYOTOIPVLZDCAJR-CQSZACIVSA-N
XLogP1.52
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111578722
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 95979762
1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 56814238
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea
CID 94095897
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea
CID 111475603
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428582
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 55794321
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95130176
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 95130177
4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide
CID 136526815

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (CID 94031186) is 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is COCCn1cc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)cn1.
What is the InChIKey of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The InChIKey is YOTOIPVLZDCAJR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19FN4O3/c1-23-7-6-20-10-13(8-18-20)19-15(22)17-9-14(21)11-2-4-12(16)5-3-11/h2-5,8,10,14,21H,6-7,9H2,1H3,(H2,17,19,22)/t14-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea has a molecular weight of 322.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 94031186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).