1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea

C16H21FN4O2 — CID 111424921

IUPAC1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C16H21FN4O2/c1-11(2)8-13(10-22)19-16(23)20-14-9-12(17)4-5-15(14)21-7-3-6-18-21/h3-7,9,11,13,22H,8,10H2,1-2H3,(H2,19,20,23)
InChIKeyVIUIOBUVJPXDDF-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.54
Rot. Bonds6

About 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea

1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea (PubChem CID 111424921) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
PubChem CID111424921
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C16H21FN4O2/c1-11(2)8-13(10-22)19-16(23)20-14-9-12(17)4-5-15(14)21-7-3-6-18-21/h3-7,9,11,13,22H,8,10H2,1-2H3,(H2,19,20,23)
InChIKeyVIUIOBUVJPXDDF-UHFFFAOYSA-N
XLogP2.54
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyano-4-fluorophenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111926800
1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111424876
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 111107523
1-butyl-3-(5-fluoro-2-pyrazol-1-ylphenyl)-1-(2-hydroxyethyl)urea
CID 111107528
N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798025
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95615000
N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide
CID 71858055
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040904
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111474707
1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 75379402

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The IUPAC name of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea (CID 111424921) is 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The canonical SMILES for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea is CC(C)CC(CO)NC(=O)Nc1cc(F)ccc1-n1cccn1.
What is the InChIKey of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The InChIKey is VIUIOBUVJPXDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-11(2)8-13(10-22)19-16(23)20-14-9-12(17)4-5-15(14)21-7-3-6-18-21/h3-7,9,11,13,22H,8,10H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea has a molecular weight of 320.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea is sourced from PubChem (CID 111424921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).