methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium

C15H19N4S+ — CID 176985413

IUPACmethyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium
SMILESC[SH+]C(C)c1ccc2c(c1)c(-c1cnn(C)c1)nn2C
InChIInChI=1S/C15H18N4S/c1-10(20-4)11-5-6-14-13(7-11)15(17-19(14)3)12-8-16-18(2)9-12/h5-10H,1-4H3/p+1
InChIKeyGNWWGEGDCCQOMS-UHFFFAOYSA-O
MW287.41 g/mol
LogP2.48
Rot. Bonds3

About methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium

methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium (PubChem CID 176985413) has the molecular formula C15H19N4S+ and a molecular weight of 287.41 g/mol. Its IUPAC name is methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium.

Molecular Properties

Compound Namemethyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium
PubChem CID176985413
Molecular FormulaC15H19N4S+
Molecular Weight287.41 g/mol
Exact Mass287.13
IUPAC Namemethyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium
SMILESC[SH+]C(C)c1ccc2c(c1)c(-c1cnn(C)c1)nn2C
InChIInChI=1S/C15H18N4S/c1-10(20-4)11-5-6-14-13(7-11)15(17-19(14)3)12-8-16-18(2)9-12/h5-10H,1-4H3/p+1
InChIKeyGNWWGEGDCCQOMS-UHFFFAOYSA-O
XLogP2.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethanethiol
CID 176982722
5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole
CID 158800089
carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate
CID 175346570
(8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one
CID 145058153
N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide
CID 46983985
1-methyl-3-pyrimidin-5-ylindazol-5-ol
CID 166449884
4-(2-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole
CID 121383038
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 61033157
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 166449880
2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline
CID 167447426
3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde
CID 139556360
1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139530508

Frequently Asked Questions

What is the IUPAC name of methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium?
The IUPAC name of methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium (CID 176985413) is methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium.
What is the SMILES notation for methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium?
The canonical SMILES for methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium is C[SH+]C(C)c1ccc2c(c1)c(-c1cnn(C)c1)nn2C.
What is the InChIKey of methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium?
The InChIKey is GNWWGEGDCCQOMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N4S/c1-10(20-4)11-5-6-14-13(7-11)15(17-19(14)3)12-8-16-18(2)9-12/h5-10H,1-4H3/p+1.
What are the key properties of methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium?
methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium has a molecular weight of 287.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium is sourced from PubChem (CID 176985413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).