3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide

C15H15N3OS — CID 11150324

IUPAC3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
SMILESCc1ccc(C2=NN(C(N)=S)C(c3ccco3)C2)cc1
InChIInChI=1S/C15H15N3OS/c1-10-4-6-11(7-5-10)12-9-13(14-3-2-8-19-14)18(17-12)15(16)20/h2-8,13H,9H2,1H3,(H2,16,20)
InChIKeyNNSLQCQCMFBQHJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.98
Rot. Bonds2

About 3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide

3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide (PubChem CID 11150324) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
PubChem CID11150324
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
SMILESCc1ccc(C2=NN(C(N)=S)C(c3ccco3)C2)cc1
InChIInChI=1S/C15H15N3OS/c1-10-4-6-11(7-5-10)12-9-13(14-3-2-8-19-14)18(17-12)15(16)20/h2-8,13H,9H2,1H3,(H2,16,20)
InChIKeyNNSLQCQCMFBQHJ-UHFFFAOYSA-N
XLogP2.98
TPSA54.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-4-[(E)-(4-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 6858351
3-(4-Fluorophenyl)-5-(furan-2-YL)-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 11630659
1-benzyl-3-[(E)-1-(furan-2-yl)ethylideneamino]thiourea
CID 6060521
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 3831781
N1-(2-furylmethyl)-2-(2-methoxybenzylidene)hydrazine-1-carbothioamide
CID 9566143
4-(2-furanylmethyl)-3-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 2815828
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2951698
5-(furan-2-yl)-3-(2-methoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 2952193
1-(4-methoxyphenyl)ethanone N-(2-furylmethyl)thiosemicarbazone
CID 6068611
5-(2-furyl)-4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-4H-1,2,4-triazole-3-thiol
CID 6858349
5-(furan-2-yl)-4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 6881583
5-(2-furyl)-4-[(3-phenyl-2-propen-1-ylidene)amino]-4H-1,2,4-triazole-3-thiol
CID 6887609

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide?
The IUPAC name of 3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide (CID 11150324) is 3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide.
What is the SMILES notation for 3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide?
The canonical SMILES for 3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide is Cc1ccc(C2=NN(C(N)=S)C(c3ccco3)C2)cc1.
What is the InChIKey of 3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide?
The InChIKey is NNSLQCQCMFBQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-4-6-11(7-5-10)12-9-13(14-3-2-8-19-14)18(17-12)15(16)20/h2-8,13H,9H2,1H3,(H2,16,20).
What are the key properties of 3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide?
3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide has a molecular weight of 285.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide is sourced from PubChem (CID 11150324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).