1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea

C15H14N4O2 — CID 166194501

IUPAC1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea
SMILESCOc1ccc2cc(NC(=O)Nc3cn[nH]c3)ccc2c1
InChIInChI=1S/C15H14N4O2/c1-21-14-5-3-10-6-12(4-2-11(10)7-14)18-15(20)19-13-8-16-17-9-13/h2-9H,1H3,(H,16,17)(H2,18,19,20)
InChIKeyZDFUHRABHDBEIM-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.22
Rot. Bonds3

About 1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea

1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea (PubChem CID 166194501) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea
PubChem CID166194501
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea
SMILESCOc1ccc2cc(NC(=O)Nc3cn[nH]c3)ccc2c1
InChIInChI=1S/C15H14N4O2/c1-21-14-5-3-10-6-12(4-2-11(10)7-14)18-15(20)19-13-8-16-17-9-13/h2-9H,1H3,(H,16,17)(H2,18,19,20)
InChIKeyZDFUHRABHDBEIM-UHFFFAOYSA-N
XLogP3.22
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea (CID 166194501) is 1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea is COc1ccc2cc(NC(=O)Nc3cn[nH]c3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea?
The InChIKey is ZDFUHRABHDBEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-14-5-3-10-6-12(4-2-11(10)7-14)18-15(20)19-13-8-16-17-9-13/h2-9H,1H3,(H,16,17)(H2,18,19,20).
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea?
1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea has a molecular weight of 282.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 166194501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).