4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

C15H10Br2ClN3OS — CID 19397696

IUPAC4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H10Br2ClN3OS/c16-11-5-13(23-14(11)17)15(22)20-10-6-19-21(8-10)7-9-3-1-2-4-12(9)18/h1-6,8H,7H2,(H,20,22)
InChIKeyHNWKSPNTYUVEPF-UHFFFAOYSA-N
MW475.59 g/mol
LogP5.42
Rot. Bonds4

About 4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 19397696) has the molecular formula C15H10Br2ClN3OS and a molecular weight of 475.59 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID19397696
Molecular FormulaC15H10Br2ClN3OS
Molecular Weight475.59 g/mol
Exact Mass472.86
IUPAC Name4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H10Br2ClN3OS/c16-11-5-13(23-14(11)17)15(22)20-10-6-19-21(8-10)7-9-3-1-2-4-12(9)18/h1-6,8H,7H2,(H,20,22)
InChIKeyHNWKSPNTYUVEPF-UHFFFAOYSA-N
XLogP5.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19395542
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476126
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474860
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19397626
3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 53370702
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
4,5-dibromo-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19340762
1-[3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483009
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513614
1-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19397065
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510337

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (CID 19397696) is 4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is HNWKSPNTYUVEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClN3OS/c16-11-5-13(23-14(11)17)15(22)20-10-6-19-21(8-10)7-9-3-1-2-4-12(9)18/h1-6,8H,7H2,(H,20,22).
What are the key properties of 4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19397696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).