1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea

C15H18Cl2N4O — CID 2822406

IUPAC1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N4O/c1-15(2,3)12-8-13(21(4)20-12)19-14(22)18-11-6-9(16)5-10(17)7-11/h5-8H,1-4H3,(H2,18,19,22)
InChIKeyPGAOLCBUVAGNHE-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.67
Rot. Bonds2

About 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea

1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea (PubChem CID 2822406) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea
PubChem CID2822406
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N4O/c1-15(2,3)12-8-13(21(4)20-12)19-14(22)18-11-6-9(16)5-10(17)7-11/h5-8H,1-4H3,(H2,18,19,22)
InChIKeyPGAOLCBUVAGNHE-UHFFFAOYSA-N
XLogP4.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea (CID 2822406) is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea is Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is PGAOLCBUVAGNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-15(2,3)12-8-13(21(4)20-12)19-14(22)18-11-6-9(16)5-10(17)7-11/h5-8H,1-4H3,(H2,18,19,22).
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea?
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 341.24 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 2822406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).