N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide

C17H13N5OS — CID 42545419

IUPACN-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1cccc2nsnc12
InChIInChI=1S/C17H13N5OS/c23-17(14-6-2-7-15-16(14)21-24-20-15)19-13-5-1-4-12(10-13)11-22-9-3-8-18-22/h1-10H,11H2,(H,19,23)
InChIKeyRZGADVVTHANNPO-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.19
Rot. Bonds4

About N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide

N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide (PubChem CID 42545419) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide
PubChem CID42545419
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1cccc2nsnc12
InChIInChI=1S/C17H13N5OS/c23-17(14-6-2-7-15-16(14)21-24-20-15)19-13-5-1-4-12(10-13)11-22-9-3-8-18-22/h1-10H,11H2,(H,19,23)
InChIKeyRZGADVVTHANNPO-UHFFFAOYSA-N
XLogP3.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 92635266
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19268564
1-oxido-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridin-1-ium-2-carboxamide
CID 75532259
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440185
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 78861256
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 55612844
2-methyl-2-(methylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 62836036
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 46400590

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide?
The IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide (CID 42545419) is N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide.
What is the SMILES notation for N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide?
The canonical SMILES for N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)c1cccc2nsnc12.
What is the InChIKey of N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide?
The InChIKey is RZGADVVTHANNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-17(14-6-2-7-15-16(14)21-24-20-15)19-13-5-1-4-12(10-13)11-22-9-3-8-18-22/h1-10H,11H2,(H,19,23).
What are the key properties of N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide?
N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide is sourced from PubChem (CID 42545419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).