1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea

C14H18N4O — CID 47198174

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea
SMILESCc1cc(NC(=O)NCCc2ccccc2)n(C)n1
InChIInChI=1S/C14H18N4O/c1-11-10-13(18(2)17-11)16-14(19)15-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyIEGSIYDUUKXWEI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.09
Rot. Bonds4

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

1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea (PubChem CID 47198174) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea
PubChem CID47198174
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea
SMILESCc1cc(NC(=O)NCCc2ccccc2)n(C)n1
InChIInChI=1S/C14H18N4O/c1-11-10-13(18(2)17-11)16-14(19)15-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyIEGSIYDUUKXWEI-UHFFFAOYSA-N
XLogP2.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea (CID 47198174) is 1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea is Cc1cc(NC(=O)NCCc2ccccc2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea?
The InChIKey is IEGSIYDUUKXWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-10-13(18(2)17-11)16-14(19)15-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea?
1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea has a molecular weight of 258.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 47198174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).