1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea

C24H24N4O — CID 10883516

IUPAC1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2ccccc2)n1
InChIInChI=1S/C24H24N4O/c1-24(2,3)21-16-22(28(27-21)18-12-5-4-6-13-18)26-23(29)25-20-15-9-11-17-10-7-8-14-19(17)20/h4-16H,1-3H3,(H2,25,26,29)
InChIKeyKUGYCLJHAOPSBD-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.97
Rot. Bonds3

About 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea

1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea (PubChem CID 10883516) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea
PubChem CID10883516
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2ccccc2)n1
InChIInChI=1S/C24H24N4O/c1-24(2,3)21-16-22(28(27-21)18-12-5-4-6-13-18)26-23(29)25-20-15-9-11-17-10-7-8-14-19(17)20/h4-16H,1-3H3,(H2,25,26,29)
InChIKeyKUGYCLJHAOPSBD-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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Related Compounds

3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-naphthalen-1-ylurea
CID 23646852
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 25174101
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
1-(3-tert-Butyl-1-(3-nitrophenyl)-1H-pyrazol-5-yl)-3-(naphthalen-1-yl)urea
CID 25210519
1-{3-Tert-Butyl-1-[4-(Hydroxymethyl)phenyl]-1h-Pyrazol-5-Yl}-3-Naphthalen-1-Ylurea
CID 46870032
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide
CID 2118092
3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 770920
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-p-tolylurea
CID 1052080
1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(3-morpholin-4-yl-propyl)-naphthalen-1-yl]-urea
CID 9871518

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea (CID 10883516) is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea is CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea?
The InChIKey is KUGYCLJHAOPSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-24(2,3)21-16-22(28(27-21)18-12-5-4-6-13-18)26-23(29)25-20-15-9-11-17-10-7-8-14-19(17)20/h4-16H,1-3H3,(H2,25,26,29).
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea?
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea 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-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 10883516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).