1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

C13H11N5OS — CID 29370263

IUPAC1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nncs1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H11N5OS/c19-12(16-13-17-14-9-20-13)11-6-15-18(8-11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,16,17,19)
InChIKeyZDHFANMYKGBFSF-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.04
Rot. Bonds4

About 1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 29370263) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID29370263
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nncs1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H11N5OS/c19-12(16-13-17-14-9-20-13)11-6-15-18(8-11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,16,17,19)
InChIKeyZDHFANMYKGBFSF-UHFFFAOYSA-N
XLogP2.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (CID 29370263) is 1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is O=C(Nc1nncs1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is ZDHFANMYKGBFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c19-12(16-13-17-14-9-20-13)11-6-15-18(8-11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,16,17,19).
What are the key properties of 1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 29370263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).