1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea

C21H24N4O2 — CID 3912774

IUPAC1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)18-14-19(25(24-18)15-10-6-5-7-11-15)23-20(26)22-16-12-8-9-13-17(16)27-4/h5-14H,1-4H3,(H2,22,23,26)
InChIKeyIPUHCSOAIUQPAR-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.82
Rot. Bonds4

About 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea

1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea (PubChem CID 3912774) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
PubChem CID3912774
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)18-14-19(25(24-18)15-10-6-5-7-11-15)23-20(26)22-16-12-8-9-13-17(16)27-4/h5-14H,1-4H3,(H2,22,23,26)
InChIKeyIPUHCSOAIUQPAR-UHFFFAOYSA-N
XLogP4.82
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea (CID 3912774) is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is IPUHCSOAIUQPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,3)18-14-19(25(24-18)15-10-6-5-7-11-15)23-20(26)22-16-12-8-9-13-17(16)27-4/h5-14H,1-4H3,(H2,22,23,26).
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea?
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 364.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 3912774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).