1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea

C16H22N4O — CID 2811728

IUPAC1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCCCCc1ccc(NC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C16H22N4O/c1-4-5-6-13-7-9-14(10-8-13)17-16(21)18-15-11-12(2)19-20(15)3/h7-11H,4-6H2,1-3H3,(H2,17,18,21)
InChIKeyBZXWAYMOBXLQCU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.72
Rot. Bonds5

About 1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea

1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea (PubChem CID 2811728) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
PubChem CID2811728
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCCCCc1ccc(NC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C16H22N4O/c1-4-5-6-13-7-9-14(10-8-13)17-16(21)18-15-11-12(2)19-20(15)3/h7-11H,4-6H2,1-3H3,(H2,17,18,21)
InChIKeyBZXWAYMOBXLQCU-UHFFFAOYSA-N
XLogP3.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CID 446816
1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea (CID 2811728) is 1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea is CCCCc1ccc(NC(=O)Nc2cc(C)nn2C)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The InChIKey is BZXWAYMOBXLQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-5-6-13-7-9-14(10-8-13)17-16(21)18-15-11-12(2)19-20(15)3/h7-11H,4-6H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea has a molecular weight of 286.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 2811728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).