3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole

C11H7ClN4S — CID 107331331

IUPAC3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole
SMILESClc1nsnc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C11H7ClN4S/c12-11-10(14-17-15-11)9-6-7-13-16(9)8-4-2-1-3-5-8/h1-7H
InChIKeyWZWQJHNMCNQNPN-UHFFFAOYSA-N
MW262.73 g/mol
LogP3.04
Rot. Bonds2

About 3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole

3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole (PubChem CID 107331331) has the molecular formula C11H7ClN4S and a molecular weight of 262.73 g/mol. Its IUPAC name is 3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole
PubChem CID107331331
Molecular FormulaC11H7ClN4S
Molecular Weight262.73 g/mol
Exact Mass262.01
IUPAC Name3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole
SMILESClc1nsnc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C11H7ClN4S/c12-11-10(14-17-15-11)9-6-7-13-16(9)8-4-2-1-3-5-8/h1-7H
InChIKeyWZWQJHNMCNQNPN-UHFFFAOYSA-N
XLogP3.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole (CID 107331331) is 3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole is Clc1nsnc1-c1ccnn1-c1ccccc1.
What is the InChIKey of 3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole?
The InChIKey is WZWQJHNMCNQNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4S/c12-11-10(14-17-15-11)9-6-7-13-16(9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole?
3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole has a molecular weight of 262.73 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 107331331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).