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

CID 1083422
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CID 651459
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CID 16376054
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CID 1484439
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CID 617776
CID 617776
CID 663824
CID 663824
CID 755153
CID 755153
CID 944105
CID 944105
CID 1076000
CID 1076000
CID 1125181
CID 1125181
CID 1452121
CID 1452121
CID 11359538
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).