1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

C19H26N4O — CID 146084594

IUPAC1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1c(CNC(=O)NC2CCC(C)(C)c3ccccc32)cnn1C
InChIInChI=1S/C19H26N4O/c1-13-14(12-21-23(13)4)11-20-18(24)22-17-9-10-19(2,3)16-8-6-5-7-15(16)17/h5-8,12,17H,9-11H2,1-4H3,(H2,20,22,24)
InChIKeyTXMIYXKFHIZMHK-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.34
Rot. Bonds3

About 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 146084594) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
PubChem CID146084594
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1c(CNC(=O)NC2CCC(C)(C)c3ccccc32)cnn1C
InChIInChI=1S/C19H26N4O/c1-13-14(12-21-23(13)4)11-20-18(24)22-17-9-10-19(2,3)16-8-6-5-7-15(16)17/h5-8,12,17H,9-11H2,1-4H3,(H2,20,22,24)
InChIKeyTXMIYXKFHIZMHK-UHFFFAOYSA-N
XLogP3.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (CID 146084594) is 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea is Cc1c(CNC(=O)NC2CCC(C)(C)c3ccccc32)cnn1C.
What is the InChIKey of 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The InChIKey is TXMIYXKFHIZMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-14(12-21-23(13)4)11-20-18(24)22-17-9-10-19(2,3)16-8-6-5-7-15(16)17/h5-8,12,17H,9-11H2,1-4H3,(H2,20,22,24).
What are the key properties of 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 326.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 146084594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).