N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine

C21H19N5S — CID 42943684

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine
SMILESCc1ccc(Sc2ccc(Nc3cc(C)nn3-c3ccccc3)nn2)cc1
InChIInChI=1S/C21H19N5S/c1-15-8-10-18(11-9-15)27-21-13-12-19(23-24-21)22-20-14-16(2)25-26(20)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,22,23)
InChIKeyJQZLKKCPAAGQDP-UHFFFAOYSA-N
MW373.49 g/mol
LogP5.17
Rot. Bonds5

About N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine

N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine (PubChem CID 42943684) has the molecular formula C21H19N5S and a molecular weight of 373.49 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine
PubChem CID42943684
Molecular FormulaC21H19N5S
Molecular Weight373.49 g/mol
Exact Mass373.14
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine
SMILESCc1ccc(Sc2ccc(Nc3cc(C)nn3-c3ccccc3)nn2)cc1
InChIInChI=1S/C21H19N5S/c1-15-8-10-18(11-9-15)27-21-13-12-19(23-24-21)22-20-14-16(2)25-26(20)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,22,23)
InChIKeyJQZLKKCPAAGQDP-UHFFFAOYSA-N
XLogP5.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 3550085
N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylthio)quinazolin-4-amine
CID 10268530
3-methyl-1-{4-[4-(propan-2-yl)benzenesulfonyl]phenyl}-1H-pyrazol-5-amine
CID 2411018
1-[4-(4-ethylbenzenesulfonyl)phenyl]-3-methyl-1H-pyrazol-5-amine
CID 2411008
N''-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenyl-3-pyrazolyl)benzenecarboximidamide
CID 6216001
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
N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 6388989
2-benzylsulfanyl-N-(4-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 137648656
2-benzylsulfanyl-5-ethyl-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162661643
N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide
CID 52942057

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine (CID 42943684) is N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine is Cc1ccc(Sc2ccc(Nc3cc(C)nn3-c3ccccc3)nn2)cc1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine?
The InChIKey is JQZLKKCPAAGQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S/c1-15-8-10-18(11-9-15)27-21-13-12-19(23-24-21)22-20-14-16(2)25-26(20)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,22,23).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine?
N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine has a molecular weight of 373.49 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazol-3-yl)-6-(4-methylphenyl)sulfanylpyridazin-3-amine is sourced from PubChem (CID 42943684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).