1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea

C15H14N4S — CID 934550

IUPAC1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea
SMILESCc1cc(NC(=S)Nc2cccc3ccccc23)n[nH]1
InChIInChI=1S/C15H14N4S/c1-10-9-14(19-18-10)17-15(20)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H3,16,17,18,19,20)
InChIKeyKROIADFMABMIPE-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.68
Rot. Bonds2

About 1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea

1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea (PubChem CID 934550) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea
PubChem CID934550
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea
SMILESCc1cc(NC(=S)Nc2cccc3ccccc23)n[nH]1
InChIInChI=1S/C15H14N4S/c1-10-9-14(19-18-10)17-15(20)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H3,16,17,18,19,20)
InChIKeyKROIADFMABMIPE-UHFFFAOYSA-N
XLogP3.68
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea (CID 934550) is 1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea is Cc1cc(NC(=S)Nc2cccc3ccccc23)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea?
The InChIKey is KROIADFMABMIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-9-14(19-18-10)17-15(20)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H3,16,17,18,19,20).
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea?
1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea has a molecular weight of 282.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylthiourea is sourced from PubChem (CID 934550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).