3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione

C19H18N4S — CID 136705115

IUPAC3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
SMILESCc1ccc(N2Cc3c(C)nn(-c4ccccc4)c3NC2=S)cc1
InChIInChI=1S/C19H18N4S/c1-13-8-10-15(11-9-13)22-12-17-14(2)21-23(18(17)20-19(22)24)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,20,24)
InChIKeyOFZRQUISADPOLD-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.21
Rot. Bonds2

About 3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione

3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione (PubChem CID 136705115) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione.

Molecular Properties

Compound Name3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
PubChem CID136705115
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
SMILESCc1ccc(N2Cc3c(C)nn(-c4ccccc4)c3NC2=S)cc1
InChIInChI=1S/C19H18N4S/c1-13-8-10-15(11-9-13)22-12-17-14(2)21-23(18(17)20-19(22)24)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,20,24)
InChIKeyOFZRQUISADPOLD-UHFFFAOYSA-N
XLogP4.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.21
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

4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
N-(4-benzylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263417
5-(4-Amino-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
CID 786192
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-(4-methylphenyl)pyrazol-3-amine
CID 2408834
2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 3550085
N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308471
1-(2-fluorophenyl)-3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]thiourea
CID 6903282
1-(4-methylphenyl)-3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]thiourea
CID 6905030
1-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 6905031
N-cyclopropyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenecarboximidamide
CID 2324488
N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenecarboximidamide
CID 2322839
3-(4-aminophenyl)-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 778714

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The IUPAC name of 3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione (CID 136705115) is 3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione.
What is the SMILES notation for 3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The canonical SMILES for 3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione is Cc1ccc(N2Cc3c(C)nn(-c4ccccc4)c3NC2=S)cc1.
What is the InChIKey of 3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The InChIKey is OFZRQUISADPOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-13-8-10-15(11-9-13)22-12-17-14(2)21-23(18(17)20-19(22)24)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,20,24).
What are the key properties of 3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione has a molecular weight of 334.45 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylphenyl)-1-phenyl-4,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione is sourced from PubChem (CID 136705115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).