4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

C15H9Br2Cl2N3OS — CID 19395542

IUPAC4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H9Br2Cl2N3OS/c16-10-4-13(24-14(10)17)15(23)21-8-5-20-22(6-8)7-9-11(18)2-1-3-12(9)19/h1-6H,7H2,(H,21,23)
InChIKeyLDNFQPRIVUGKHT-UHFFFAOYSA-N
MW510.04 g/mol
LogP6.08
Rot. Bonds4

About 4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 19395542) has the molecular formula C15H9Br2Cl2N3OS and a molecular weight of 510.04 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID19395542
Molecular FormulaC15H9Br2Cl2N3OS
Molecular Weight510.04 g/mol
Exact Mass506.82
IUPAC Name4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H9Br2Cl2N3OS/c16-10-4-13(24-14(10)17)15(23)21-8-5-20-22(6-8)7-9-11(18)2-1-3-12(9)19/h1-6H,7H2,(H,21,23)
InChIKeyLDNFQPRIVUGKHT-UHFFFAOYSA-N
XLogP6.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.04
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19397696
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19395555
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19395492
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19395451
4,5-dibromo-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19340762
3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19395675
4-[(2-bromophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395461
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286
(E)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 6085616
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343051

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (CID 19395542) is 4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is LDNFQPRIVUGKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2Cl2N3OS/c16-10-4-13(24-14(10)17)15(23)21-8-5-20-22(6-8)7-9-11(18)2-1-3-12(9)19/h1-6H,7H2,(H,21,23).
What are the key properties of 4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 510.04 g/mol, XLogP of 6.08, 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-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19395542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).