1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea

C15H20N4O — CID 53017294

IUPAC1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea
SMILESCCCn1ccc(NC(=O)Nc2cc(C)ccc2C)n1
InChIInChI=1S/C15H20N4O/c1-4-8-19-9-7-14(18-19)17-15(20)16-13-10-11(2)5-6-12(13)3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyHZERUPISIWZJSJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.55
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea

1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea (PubChem CID 53017294) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea
PubChem CID53017294
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea
SMILESCCCn1ccc(NC(=O)Nc2cc(C)ccc2C)n1
InChIInChI=1S/C15H20N4O/c1-4-8-19-9-7-14(18-19)17-15(20)16-13-10-11(2)5-6-12(13)3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyHZERUPISIWZJSJ-UHFFFAOYSA-N
XLogP3.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea
CID 167990779
ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
CID 108991348
1-(2,5-dimethylphenyl)-3-pyridazin-3-ylurea
CID 86818398
5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 53017148
1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea
CID 168974031
2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 61199945
N-[1-(2-hydroxyethyl)pyrazol-3-yl]acetamide
CID 141183209
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 44824027
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
1-(5-methyl-2-pyridinyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 99835817
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea
CID 86803950

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea (CID 53017294) is 1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea is CCCn1ccc(NC(=O)Nc2cc(C)ccc2C)n1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea?
The InChIKey is HZERUPISIWZJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-8-19-9-7-14(18-19)17-15(20)16-13-10-11(2)5-6-12(13)3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,17,18,20).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea?
1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea has a molecular weight of 272.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea is sourced from PubChem (CID 53017294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).