N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide

C20H17N3OS — CID 747859

IUPACN,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(C)c3ccccc3)cc12
InChIInChI=1S/C20H17N3OS/c1-14-17-13-18(19(24)22(2)15-9-5-3-6-10-15)25-20(17)23(21-14)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKeyXOZACOLLZVWJHN-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.67
Rot. Bonds3

About N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide

N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 747859) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID747859
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(C)c3ccccc3)cc12
InChIInChI=1S/C20H17N3OS/c1-14-17-13-18(19(24)22(2)15-9-5-3-6-10-15)25-20(17)23(21-14)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKeyXOZACOLLZVWJHN-UHFFFAOYSA-N
XLogP4.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1083422
N-cyclohexyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 651459
N-benzyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 680356
CB2 Inhibitor, 2
CID 16376054
N,1-dimethyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1484439
3-Methyl-5-(4-morpholinylcarbonyl)-1-phenyl-1H-thieno[2,3-c]pyrazole
CID 617776
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 663824
3-methyl-N-(3-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 755153
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 944105
(3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-methanone
CID 1076000
N-(3-chlorophenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1125181
N-(4-acetylphenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1452121

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide (CID 747859) is N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)c3ccccc3)cc12.
What is the InChIKey of N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is XOZACOLLZVWJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-14-17-13-18(19(24)22(2)15-9-5-3-6-10-15)25-20(17)23(21-14)16-11-7-4-8-12-16/h3-13H,1-2H3.
What are the key properties of N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide?
N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 747859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).