N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C20H17N3OS — CID 680356

IUPACN-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NCc3ccccc3)cc12
InChIInChI=1S/C20H17N3OS/c1-14-17-12-18(19(24)21-13-15-8-4-2-5-9-15)25-20(17)23(22-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,21,24)
InChIKeyUMMFGUQCEXUQLH-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.33
Rot. Bonds4

About N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 680356) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID680356
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NCc3ccccc3)cc12
InChIInChI=1S/C20H17N3OS/c1-14-17-12-18(19(24)21-13-15-8-4-2-5-9-15)25-20(17)23(22-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,21,24)
InChIKeyUMMFGUQCEXUQLH-UHFFFAOYSA-N
XLogP4.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
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
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
N-benzyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 11359538

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 680356) is N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3ccccc3)cc12.
What is the InChIKey of N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is UMMFGUQCEXUQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-14-17-12-18(19(24)21-13-15-8-4-2-5-9-15)25-20(17)23(22-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 680356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).