1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea

C15H20N4O2 — CID 84598091

IUPAC1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea
SMILESCc1ccccc1-n1nccc1NC(=O)NCCC(C)O
InChIInChI=1S/C15H20N4O2/c1-11-5-3-4-6-13(11)19-14(8-10-17-19)18-15(21)16-9-7-12(2)20/h3-6,8,10,12,20H,7,9H2,1-2H3,(H2,16,18,21)
InChIKeyUBKKPXYHXRNZOH-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.07
Rot. Bonds5

About 1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea

1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea (PubChem CID 84598091) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea
PubChem CID84598091
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea
SMILESCc1ccccc1-n1nccc1NC(=O)NCCC(C)O
InChIInChI=1S/C15H20N4O2/c1-11-5-3-4-6-13(11)19-14(8-10-17-19)18-15(21)16-9-7-12(2)20/h3-6,8,10,12,20H,7,9H2,1-2H3,(H2,16,18,21)
InChIKeyUBKKPXYHXRNZOH-UHFFFAOYSA-N
XLogP2.07
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 84598089
2-ethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]propanamide
CID 56789802
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
CID 96539727
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336833
N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide
CID 124574173
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95980051
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(2-methylphenyl)pyrazol-3-yl]propanamide
CID 126787813
2-(2,4-difluorophenyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 97051340
(2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide
CID 100725773
2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
CID 75467532
2-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 75442974
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 119822942

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea (CID 84598091) is 1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea is Cc1ccccc1-n1nccc1NC(=O)NCCC(C)O.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea?
The InChIKey is UBKKPXYHXRNZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-5-3-4-6-13(11)19-14(8-10-17-19)18-15(21)16-9-7-12(2)20/h3-6,8,10,12,20H,7,9H2,1-2H3,(H2,16,18,21).
What are the key properties of 1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea?
1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea has a molecular weight of 288.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea is sourced from PubChem (CID 84598091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).