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

C11H16N4S — CID 134088513

IUPAC1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole
SMILESCCn1nc(C)c(Sc2nccn2C)c1C
InChIInChI=1S/C11H16N4S/c1-5-15-9(3)10(8(2)13-15)16-11-12-6-7-14(11)4/h6-7H,5H2,1-4H3
InChIKeyDEQKDEIHGFYSCN-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.40
Rot. Bonds3

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

1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole (PubChem CID 134088513) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole
PubChem CID134088513
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole
SMILESCCn1nc(C)c(Sc2nccn2C)c1C
InChIInChI=1S/C11H16N4S/c1-5-15-9(3)10(8(2)13-15)16-11-12-6-7-14(11)4/h6-7H,5H2,1-4H3
InChIKeyDEQKDEIHGFYSCN-UHFFFAOYSA-N
XLogP2.40
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole?
The IUPAC name of 1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole (CID 134088513) is 1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole?
The canonical SMILES for 1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole is CCn1nc(C)c(Sc2nccn2C)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole?
The InChIKey is DEQKDEIHGFYSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-5-15-9(3)10(8(2)13-15)16-11-12-6-7-14(11)4/h6-7H,5H2,1-4H3.
What are the key properties of 1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole?
1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole has a molecular weight of 236.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole is sourced from PubChem (CID 134088513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).