N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide

C17H19N3OS — CID 11645322

IUPACN-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1
InChIInChI=1S/C17H19N3OS/c1-3-4-10-20(2)17(21)14-11-13-15(18-19-16(13)22-14)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyDCRJMZNHTPDFNQ-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.16
Rot. Bonds5

About N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide

N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 11645322) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID11645322
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1
InChIInChI=1S/C17H19N3OS/c1-3-4-10-20(2)17(21)14-11-13-15(18-19-16(13)22-14)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyDCRJMZNHTPDFNQ-UHFFFAOYSA-N
XLogP4.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 11645322) is N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide is CCCCN(C)C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1.
What is the InChIKey of N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is DCRJMZNHTPDFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-3-4-10-20(2)17(21)14-11-13-15(18-19-16(13)22-14)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,18,19).
What are the key properties of N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 11645322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).