N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C19H14BrN3OS — CID 1083422

IUPACN-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Br)cc3)cc12
InChIInChI=1S/C19H14BrN3OS/c1-12-16-11-17(18(24)21-14-9-7-13(20)8-10-14)25-19(16)23(22-12)15-5-3-2-4-6-15/h2-11H,1H3,(H,21,24)
InChIKeyYNCVHUIRLZOVHI-UHFFFAOYSA-N
MW412.31 g/mol
LogP5.41
Rot. Bonds3

About N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 1083422) has the molecular formula C19H14BrN3OS and a molecular weight of 412.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID1083422
Molecular FormulaC19H14BrN3OS
Molecular Weight412.31 g/mol
Exact Mass411.00
IUPAC NameN-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Br)cc3)cc12
InChIInChI=1S/C19H14BrN3OS/c1-12-16-11-17(18(24)21-14-9-7-13(20)8-10-14)25-19(16)23(22-12)15-5-3-2-4-6-15/h2-11H,1H3,(H,21,24)
InChIKeyYNCVHUIRLZOVHI-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 1083422) is N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Br)cc3)cc12.
What is the InChIKey of N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is YNCVHUIRLZOVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3OS/c1-12-16-11-17(18(24)21-14-9-7-13(20)8-10-14)25-19(16)23(22-12)15-5-3-2-4-6-15/h2-11H,1H3,(H,21,24).
What are the key properties of N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 412.31 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 1083422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).