N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide

C15H14N6OS — CID 134703354

IUPACN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
SMILESCn1nc2c(c1NC(=O)c1ccccc1-n1cncn1)CSC2
InChIInChI=1S/C15H14N6OS/c1-20-14(11-6-23-7-12(11)19-20)18-15(22)10-4-2-3-5-13(10)21-9-16-8-17-21/h2-5,8-9H,6-7H2,1H3,(H,18,22)
InChIKeyIOUZBZQECUOUBD-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.00
Rot. Bonds3

About N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide

N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 134703354) has the molecular formula C15H14N6OS and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID134703354
Molecular FormulaC15H14N6OS
Molecular Weight326.38 g/mol
Exact Mass326.09
IUPAC NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
SMILESCn1nc2c(c1NC(=O)c1ccccc1-n1cncn1)CSC2
InChIInChI=1S/C15H14N6OS/c1-20-14(11-6-23-7-12(11)19-20)18-15(22)10-4-2-3-5-13(10)21-9-16-8-17-21/h2-5,8-9H,6-7H2,1H3,(H,18,22)
InChIKeyIOUZBZQECUOUBD-UHFFFAOYSA-N
XLogP2.00
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134707784
1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide
CID 53370102
2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4577716
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95525394
5-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pyrazine-2-carboxamide
CID 134710374
2-chloro-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4176599
1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 125433016
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide
CID 3495488
2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CID 50853299
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide
CID 5067051
4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 127254885
2-fluoro-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4098169

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide (CID 134703354) is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide is Cn1nc2c(c1NC(=O)c1ccccc1-n1cncn1)CSC2.
What is the InChIKey of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is IOUZBZQECUOUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-20-14(11-6-23-7-12(11)19-20)18-15(22)10-4-2-3-5-13(10)21-9-16-8-17-21/h2-5,8-9H,6-7H2,1H3,(H,18,22).
What are the key properties of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide?
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 326.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 134703354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).