1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea

C15H19ClN4O — CID 2447447

IUPAC1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2)n(C(C)(C)C)n1
InChIInChI=1S/C15H19ClN4O/c1-10-8-13(20(19-10)15(2,3)4)18-14(21)17-12-7-5-6-11(16)9-12/h5-9H,1-4H3,(H2,17,18,21)
InChIKeyUNLJJJFPKHWNQS-UHFFFAOYSA-N
MW306.80 g/mol
LogP4.24
Rot. Bonds2

About 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea

1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea (PubChem CID 2447447) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea
PubChem CID2447447
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2)n(C(C)(C)C)n1
InChIInChI=1S/C15H19ClN4O/c1-10-8-13(20(19-10)15(2,3)4)18-14(21)17-12-7-5-6-11(16)9-12/h5-9H,1-4H3,(H2,17,18,21)
InChIKeyUNLJJJFPKHWNQS-UHFFFAOYSA-N
XLogP4.24
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea (CID 2447447) is 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea is Cc1cc(NC(=O)Nc2cccc(Cl)c2)n(C(C)(C)C)n1.
What is the InChIKey of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea?
The InChIKey is UNLJJJFPKHWNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-8-13(20(19-10)15(2,3)4)18-14(21)17-12-7-5-6-11(16)9-12/h5-9H,1-4H3,(H2,17,18,21).
What are the key properties of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea?
1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea has a molecular weight of 306.80 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 2447447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).