N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C19H14ClN3OS — CID 1125181

IUPACN-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(Cl)c3)cc12
InChIInChI=1S/C19H14ClN3OS/c1-12-16-11-17(18(24)21-14-7-5-6-13(20)10-14)25-19(16)23(22-12)15-8-3-2-4-9-15/h2-11H,1H3,(H,21,24)
InChIKeyPTILRIHWSJUZBH-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.30
Rot. Bonds3

About N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 1125181) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID1125181
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC NameN-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(Cl)c3)cc12
InChIInChI=1S/C19H14ClN3OS/c1-12-16-11-17(18(24)21-14-7-5-6-13(20)10-14)25-19(16)23(22-12)15-8-3-2-4-9-15/h2-11H,1H3,(H,21,24)
InChIKeyPTILRIHWSJUZBH-UHFFFAOYSA-N
XLogP5.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 1125181) is N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(Cl)c3)cc12.
What is the InChIKey of N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is PTILRIHWSJUZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c1-12-16-11-17(18(24)21-14-7-5-6-13(20)10-14)25-19(16)23(22-12)15-8-3-2-4-9-15/h2-11H,1H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 1125181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).