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

C14H10Br2ClN5O — CID 19508570

IUPAC4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1n[nH]c(Br)c1Br
InChIInChI=1S/C14H10Br2ClN5O/c15-11-12(19-20-13(11)16)14(23)18-10-4-5-22(21-10)7-8-2-1-3-9(17)6-8/h1-6H,7H2,(H,19,20)(H,18,21,23)
InChIKeyQAIZYMHMEQYWOE-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.09
Rot. Bonds4

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

4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 19508570) has the molecular formula C14H10Br2ClN5O and a molecular weight of 459.53 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID19508570
Molecular FormulaC14H10Br2ClN5O
Molecular Weight459.53 g/mol
Exact Mass456.89
IUPAC Name4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1n[nH]c(Br)c1Br
InChIInChI=1S/C14H10Br2ClN5O/c15-11-12(19-20-13(11)16)14(23)18-10-4-5-22(21-10)7-8-2-1-3-9(17)6-8/h1-6H,7H2,(H,19,20)(H,18,21,23)
InChIKeyQAIZYMHMEQYWOE-UHFFFAOYSA-N
XLogP4.09
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403078
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508572
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264337
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475126
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzamide
CID 19406942
4-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135829892
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508875
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 19284303
4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403091
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide (CID 19508570) is 4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1n[nH]c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is QAIZYMHMEQYWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClN5O/c15-11-12(19-20-13(11)16)14(23)18-10-4-5-22(21-10)7-8-2-1-3-9(17)6-8/h1-6H,7H2,(H,19,20)(H,18,21,23).
What are the key properties of 4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.09, 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-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).