4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide

C15H10Cl3N3OS — CID 19490676

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cn2cc(Cl)cn2)cs1
InChIInChI=1S/C15H10Cl3N3OS/c16-10-2-11(17)4-13(3-10)20-15(22)14-1-9(8-23-14)6-21-7-12(18)5-19-21/h1-5,7-8H,6H2,(H,20,22)
InChIKeyKQPZAXJKWUPDAN-UHFFFAOYSA-N
MW386.69 g/mol
LogP5.21
Rot. Bonds4

About 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide

4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide (PubChem CID 19490676) has the molecular formula C15H10Cl3N3OS and a molecular weight of 386.69 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
PubChem CID19490676
Molecular FormulaC15H10Cl3N3OS
Molecular Weight386.69 g/mol
Exact Mass384.96
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cn2cc(Cl)cn2)cs1
InChIInChI=1S/C15H10Cl3N3OS/c16-10-2-11(17)4-13(3-10)20-15(22)14-1-9(8-23-14)6-21-7-12(18)5-19-21/h1-5,7-8H,6H2,(H,20,22)
InChIKeyKQPZAXJKWUPDAN-UHFFFAOYSA-N
XLogP5.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494517
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494574
4-[(4-chloropyrazol-1-yl)methyl]-N-(2,6-dichlorophenyl)thiophene-2-carboxamide
CID 19490712
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494537
4-[(4-chloropyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 19490702
4-[(4-chloropyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19490695
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499133
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471777
N-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494626
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471916
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469743
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494580

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide (CID 19490676) is 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cn2cc(Cl)cn2)cs1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide?
The InChIKey is KQPZAXJKWUPDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3OS/c16-10-2-11(17)4-13(3-10)20-15(22)14-1-9(8-23-14)6-21-7-12(18)5-19-21/h1-5,7-8H,6H2,(H,20,22).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide?
4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide has a molecular weight of 386.69 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19490676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).