1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea

C16H16N4O — CID 19589685

IUPAC1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
SMILESO=C(NCCn1cccn1)Nc1cccc2ccccc12
InChIInChI=1S/C16H16N4O/c21-16(17-10-12-20-11-4-9-18-20)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,11H,10,12H2,(H2,17,19,21)
InChIKeyPIFPIGIKTNCRSS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.86
Rot. Bonds4

About 1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea

1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 19589685) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
PubChem CID19589685
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
SMILESO=C(NCCn1cccn1)Nc1cccc2ccccc12
InChIInChI=1S/C16H16N4O/c21-16(17-10-12-20-11-4-9-18-20)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,11H,10,12H2,(H2,17,19,21)
InChIKeyPIFPIGIKTNCRSS-UHFFFAOYSA-N
XLogP2.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62535953
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-naphthalen-1-yl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 2810883
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99623557
5-bromo-2-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 62073502
4-fluoro-3-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461761
1-naphthalen-1-yl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 18144687
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea (CID 19589685) is 1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea is O=C(NCCn1cccn1)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is PIFPIGIKTNCRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16(17-10-12-20-11-4-9-18-20)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,11H,10,12H2,(H2,17,19,21).
What are the key properties of 1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea?
1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 280.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 19589685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).