1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde

C10H12N4OS — CID 63801834

IUPAC1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(Sc2nccn2C)c1C=O
InChIInChI=1S/C10H12N4OS/c1-7-8(6-15)9(14(3)12-7)16-10-11-4-5-13(10)2/h4-6H,1-3H3
InChIKeyTXWBFGVAIICRPA-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.43
Rot. Bonds3

About 1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde

1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde (PubChem CID 63801834) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde
PubChem CID63801834
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(Sc2nccn2C)c1C=O
InChIInChI=1S/C10H12N4OS/c1-7-8(6-15)9(14(3)12-7)16-10-11-4-5-13(10)2/h4-6H,1-3H3
InChIKeyTXWBFGVAIICRPA-UHFFFAOYSA-N
XLogP1.43
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazole-4-carbaldehyde
CID 63803760
N-[[1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63806969
1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazole-4-carbaldehyde
CID 63803754
5-(2-bromophenyl)sulfanyl-1,3-dimethylpyrazole-4-carbaldehyde
CID 63803725
N-[4-(4-formyl-1,3-dimethylpyrazol-5-yl)sulfanylphenyl]acetamide
CID 63802362
1-ethyl-3-methyl-5-(1-methylimidazol-2-yl)sulfanylpyrazol-4-amine
CID 66010744
2-(4-formyl-1,3-dimethylpyrazol-5-yl)sulfanylacetic acid
CID 47002393
(2R)-2-[2,4-dichloro-5-(4-formyl-1,3-dimethylpyrazol-5-yl)sulfanylphenoxy]propanoic acid
CID 87544745
1-methyl-2-phenylsulfanylimidazole;3-methyl-2-phenylsulfanylimidazole-4-carbaldehyde
CID 161418936
2-(4-isocyanatophenyl)sulfanyl-1-methylimidazole
CID 169353092
5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 87734412
2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole
CID 130701592

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde?
The IUPAC name of 1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde (CID 63801834) is 1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde is Cc1nn(C)c(Sc2nccn2C)c1C=O.
What is the InChIKey of 1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde?
The InChIKey is TXWBFGVAIICRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7-8(6-15)9(14(3)12-7)16-10-11-4-5-13(10)2/h4-6H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde?
1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde has a molecular weight of 236.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazole-4-carbaldehyde is sourced from PubChem (CID 63801834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).