3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C19H12ClF2N3OS — CID 53020534

IUPAC3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3cc(F)ccc3F)sc21
InChIInChI=1S/C19H12ClF2N3OS/c1-25-19-13(17(24-25)10-2-4-11(20)5-3-10)9-16(27-19)18(26)23-15-8-12(21)6-7-14(15)22/h2-9H,1H3,(H,23,26)
InChIKeyDILUUXIJEOCTEH-UHFFFAOYSA-N
MW403.84 g/mol
LogP5.49
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 53020534) has the molecular formula C19H12ClF2N3OS and a molecular weight of 403.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID53020534
Molecular FormulaC19H12ClF2N3OS
Molecular Weight403.84 g/mol
Exact Mass403.04
IUPAC Name3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3cc(F)ccc3F)sc21
InChIInChI=1S/C19H12ClF2N3OS/c1-25-19-13(17(24-25)10-2-4-11(20)5-3-10)9-16(27-19)18(26)23-15-8-12(21)6-7-14(15)22/h2-9H,1H3,(H,23,26)
InChIKeyDILUUXIJEOCTEH-UHFFFAOYSA-N
XLogP5.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.84
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 53020534) is 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3cc(F)ccc3F)sc21.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is DILUUXIJEOCTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3OS/c1-25-19-13(17(24-25)10-2-4-11(20)5-3-10)9-16(27-19)18(26)23-15-8-12(21)6-7-14(15)22/h2-9H,1H3,(H,23,26).
What are the key properties of 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 403.84 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 53020534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).