3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole

C11H15N5S — CID 126821645

IUPAC3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC2c2cn[nH]c2)n1
InChIInChI=1S/C11H15N5S/c1-2-10-14-11(17-15-10)16-5-3-4-9(16)8-6-12-13-7-8/h6-7,9H,2-5H2,1H3,(H,12,13)
InChIKeyBNXDCILHQYNZQN-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.17
Rot. Bonds3

About 3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole (PubChem CID 126821645) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
PubChem CID126821645
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC2c2cn[nH]c2)n1
InChIInChI=1S/C11H15N5S/c1-2-10-14-11(17-15-10)16-5-3-4-9(16)8-6-12-13-7-8/h6-7,9H,2-5H2,1H3,(H,12,13)
InChIKeyBNXDCILHQYNZQN-UHFFFAOYSA-N
XLogP2.17
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole (CID 126821645) is 3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCCC2c2cn[nH]c2)n1.
What is the InChIKey of 3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is BNXDCILHQYNZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-2-10-14-11(17-15-10)16-5-3-4-9(16)8-6-12-13-7-8/h6-7,9H,2-5H2,1H3,(H,12,13).
What are the key properties of 3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 249.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 126821645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).