4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea

C23H28N4O2 — CID 144629226

IUPAC4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCC1(C)CC(O)Cc2ccccc21.Cn1nc(-c2ccccc2)cc1NC(N)=O
InChIInChI=1S/C12H16O.C11H12N4O/c1-12(2)8-10(13)7-9-5-3-4-6-11(9)12;1-15-10(13-11(12)16)7-9(14-15)8-5-3-2-4-6-8/h3-6,10,13H,7-8H2,1-2H3;2-7H,1H3,(H3,12,13,16)
InChIKeyQQTVLWLJUIQUKK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.85
Rot. Bonds2

About 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea

4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea (PubChem CID 144629226) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea.

Molecular Properties

Compound Name4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea
PubChem CID144629226
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCC1(C)CC(O)Cc2ccccc21.Cn1nc(-c2ccccc2)cc1NC(N)=O
InChIInChI=1S/C12H16O.C11H12N4O/c1-12(2)8-10(13)7-9-5-3-4-6-11(9)12;1-15-10(13-11(12)16)7-9(14-15)8-5-3-2-4-6-8/h3-6,10,13H,7-8H2,1-2H3;2-7H,1H3,(H3,12,13,16)
InChIKeyQQTVLWLJUIQUKK-UHFFFAOYSA-N
XLogP3.85
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea?
The IUPAC name of 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea (CID 144629226) is 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea.
What is the SMILES notation for 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea?
The canonical SMILES for 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea is CC1(C)CC(O)Cc2ccccc21.Cn1nc(-c2ccccc2)cc1NC(N)=O.
What is the InChIKey of 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea?
The InChIKey is QQTVLWLJUIQUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C11H12N4O/c1-12(2)8-10(13)7-9-5-3-4-6-11(9)12;1-15-10(13-11(12)16)7-9(14-15)8-5-3-2-4-6-8/h3-6,10,13H,7-8H2,1-2H3;2-7H,1H3,(H3,12,13,16).
What are the key properties of 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea?
4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea has a molecular weight of 392.50 g/mol, XLogP of 3.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea is sourced from PubChem (CID 144629226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).