3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine

C13H12N4S — CID 134966064

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine
SMILESCc1cc(C)n(-c2ccc(-c3ccsc3)nn2)n1
InChIInChI=1S/C13H12N4S/c1-9-7-10(2)17(16-9)13-4-3-12(14-15-13)11-5-6-18-8-11/h3-8H,1-2H3
InChIKeyRKFVRZDRKYDSMD-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.01
Rot. Bonds2

About 3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine

3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine (PubChem CID 134966064) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine
PubChem CID134966064
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine
SMILESCc1cc(C)n(-c2ccc(-c3ccsc3)nn2)n1
InChIInChI=1S/C13H12N4S/c1-9-7-10(2)17(16-9)13-4-3-12(14-15-13)11-5-6-18-8-11/h3-8H,1-2H3
InChIKeyRKFVRZDRKYDSMD-UHFFFAOYSA-N
XLogP3.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
2-Phenyl-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 737221
1-phenyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 43158972
5-Phenyl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 162670082
N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide
CID 2322865
5-cyclopropyl-3-methyl-1,6-diphenyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d]pyrimidine
CID 16276580
3-((4-bromobenzyl)thio)-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine
CID 41802256
3-((2-chlorobenzyl)thio)-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine
CID 41802282
5-Amino-1-phenyl-3-(thiophen-2-yl)pyrazole-4-carbonitrile
CID 21860261
2,6-bis(3-methyl-1H-pyrazol-1-yl)-4-(2-thienyl)pyridine
CID 850139
1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2742741
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)propan-2-amine
CID 42690237

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine (CID 134966064) is 3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine is Cc1cc(C)n(-c2ccc(-c3ccsc3)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine?
The InChIKey is RKFVRZDRKYDSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-9-7-10(2)17(16-9)13-4-3-12(14-15-13)11-5-6-18-8-11/h3-8H,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine has a molecular weight of 256.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine is sourced from PubChem (CID 134966064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).