4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide

C14H9Br3ClN5O — CID 19284303

IUPAC4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Br)c1n[nH]c(Br)c1Br
InChIInChI=1S/C14H9Br3ClN5O/c15-9-6-23(5-7-1-3-8(18)4-2-7)22-13(9)19-14(24)11-10(16)12(17)21-20-11/h1-4,6H,5H2,(H,20,21)(H,19,22,24)
InChIKeyHOVQEGYDJADNIK-UHFFFAOYSA-N
MW538.43 g/mol
LogP4.85
Rot. Bonds4

About 4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide

4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 19284303) has the molecular formula C14H9Br3ClN5O and a molecular weight of 538.43 g/mol. Its IUPAC name is 4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID19284303
Molecular FormulaC14H9Br3ClN5O
Molecular Weight538.43 g/mol
Exact Mass534.80
IUPAC Name4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Br)c1n[nH]c(Br)c1Br
InChIInChI=1S/C14H9Br3ClN5O/c15-9-6-23(5-7-1-3-8(18)4-2-7)22-13(9)19-14(24)11-10(16)12(17)21-20-11/h1-4,6H,5H2,(H,20,21)(H,19,22,24)
InChIKeyHOVQEGYDJADNIK-UHFFFAOYSA-N
XLogP4.85
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 19394637
4,5-dibromo-N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 19508541
4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19284270
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 11154069
4-bromo-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803392
2-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19284205
4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498483
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 19508570
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19284366
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443602
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19441945
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 19284441

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide (CID 19284303) is 4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Br)c1n[nH]c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is HOVQEGYDJADNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3ClN5O/c15-9-6-23(5-7-1-3-8(18)4-2-7)22-13(9)19-14(24)11-10(16)12(17)21-20-11/h1-4,6H,5H2,(H,20,21)(H,19,22,24).
What are the key properties of 4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 538.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19284303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).