1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea

C24H24N4O — CID 11079518

IUPAC1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C24H24N4O/c1-24(2,3)21-16-22(26-23(29)25-19-11-5-4-6-12-19)28(27-21)20-14-13-17-9-7-8-10-18(17)15-20/h4-16H,1-3H3,(H2,25,26,29)
InChIKeyHUIYFTUPVRGRGO-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.97
Rot. Bonds3

About 1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea

1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea (PubChem CID 11079518) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea
PubChem CID11079518
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C24H24N4O/c1-24(2,3)21-16-22(26-23(29)25-19-11-5-4-6-12-19)28(27-21)20-14-13-17-9-7-8-10-18(17)15-20/h4-16H,1-3H3,(H2,25,26,29)
InChIKeyHUIYFTUPVRGRGO-UHFFFAOYSA-N
XLogP5.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.97
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-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea?
The IUPAC name of 1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea (CID 11079518) is 1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea?
The canonical SMILES for 1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea is CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea?
The InChIKey is HUIYFTUPVRGRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-24(2,3)21-16-22(26-23(29)25-19-11-5-4-6-12-19)28(27-21)20-14-13-17-9-7-8-10-18(17)15-20/h4-16H,1-3H3,(H2,25,26,29).
What are the key properties of 1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea?
1-(3-tert-butyl-1-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea has a molecular weight of 384.48 g/mol, XLogP of 5.97, 3 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-naphthalen-2-ylpyrazol-5-yl)-3-phenylurea is sourced from PubChem (CID 11079518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).