3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide

C11H9ClN6OS — CID 65452365

IUPAC3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C11H9ClN6OS/c1-4-7(10(13)16-15-4)11(19)14-8-5(12)2-3-6-9(8)18-20-17-6/h2-3H,1H3,(H,14,19)(H3,13,15,16)
InChIKeyPZBGHMFNDOKRAR-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.21
Rot. Bonds2

About 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide

3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 65452365) has the molecular formula C11H9ClN6OS and a molecular weight of 308.75 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID65452365
Molecular FormulaC11H9ClN6OS
Molecular Weight308.75 g/mol
Exact Mass308.02
IUPAC Name3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C11H9ClN6OS/c1-4-7(10(13)16-15-4)11(19)14-8-5(12)2-3-6-9(8)18-20-17-6/h2-3H,1H3,(H,14,19)(H3,13,15,16)
InChIKeyPZBGHMFNDOKRAR-UHFFFAOYSA-N
XLogP2.21
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide (CID 65452365) is 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is PZBGHMFNDOKRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6OS/c1-4-7(10(13)16-15-4)11(19)14-8-5(12)2-3-6-9(8)18-20-17-6/h2-3H,1H3,(H,14,19)(H3,13,15,16).
What are the key properties of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 308.75 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 65452365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).