N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide

C20H15Cl2N3OS — CID 18175502

IUPACN,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1N=C(c2cccs2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3OS/c21-14-5-3-13(4-6-14)18-12-17(19-2-1-11-27-19)24-25(18)20(26)23-16-9-7-15(22)8-10-16/h1-11,18H,12H2,(H,23,26)
InChIKeyBBOMBAVKNIBRJS-UHFFFAOYSA-N
MW416.33 g/mol
LogP6.44
Rot. Bonds3

About N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide

N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 18175502) has the molecular formula C20H15Cl2N3OS and a molecular weight of 416.33 g/mol. Its IUPAC name is N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID18175502
Molecular FormulaC20H15Cl2N3OS
Molecular Weight416.33 g/mol
Exact Mass415.03
IUPAC NameN,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1N=C(c2cccs2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3OS/c21-14-5-3-13(4-6-14)18-12-17(19-2-1-11-27-19)24-25(18)20(26)23-16-9-7-15(22)8-10-16/h1-11,18H,12H2,(H,23,26)
InChIKeyBBOMBAVKNIBRJS-UHFFFAOYSA-N
XLogP6.44
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.33
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide (CID 18175502) is N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)N1N=C(c2cccs2)CC1c1ccc(Cl)cc1.
What is the InChIKey of N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is BBOMBAVKNIBRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3OS/c21-14-5-3-13(4-6-14)18-12-17(19-2-1-11-27-19)24-25(18)20(26)23-16-9-7-15(22)8-10-16/h1-11,18H,12H2,(H,23,26).
What are the key properties of N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide?
N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 416.33 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 18175502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).