1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea

C20H18N4OS — CID 19399186

IUPAC1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea
SMILESS=C(NCc1ccco1)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C20H18N4OS/c26-20(21-13-17-8-4-12-25-17)22-19-10-11-24(23-19)14-16-7-3-6-15-5-1-2-9-18(15)16/h1-12H,13-14H2,(H2,21,22,23,26)
InChIKeyUXNQIICPTONCTA-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.16
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea

1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea (PubChem CID 19399186) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea
PubChem CID19399186
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea
SMILESS=C(NCc1ccco1)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C20H18N4OS/c26-20(21-13-17-8-4-12-25-17)22-19-10-11-24(23-19)14-16-7-3-6-15-5-1-2-9-18(15)16/h1-12H,13-14H2,(H2,21,22,23,26)
InChIKeyUXNQIICPTONCTA-UHFFFAOYSA-N
XLogP4.16
TPSA55.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea
CID 19399205
1-(3-chloro-2-methylphenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea
CID 2207015
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
1-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(furan-2-ylmethyl)thiourea
CID 19397160
trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 35526195
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 19343270
N-(furan-2-ylmethyl)-1-naphthalen-1-ylmethanamine
CID 1090542
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087778
1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19324905
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
1-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19395134
1-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 19333435

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea (CID 19399186) is 1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea is S=C(NCc1ccco1)Nc1ccn(Cc2cccc3ccccc23)n1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea?
The InChIKey is UXNQIICPTONCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c26-20(21-13-17-8-4-12-25-17)22-19-10-11-24(23-19)14-16-7-3-6-15-5-1-2-9-18(15)16/h1-12H,13-14H2,(H2,21,22,23,26).
What are the key properties of 1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea?
1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea has a molecular weight of 362.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea is sourced from PubChem (CID 19399186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).