N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide

C16H11BrCl2N4O2 — CID 4774786

IUPACN-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccn(COc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H11BrCl2N4O2/c17-10-4-5-14(20-8-10)21-16(24)12-6-7-23(22-12)9-25-13-3-1-2-11(18)15(13)19/h1-8H,9H2,(H,20,21,24)
InChIKeyOFQQYHFWZNMEFH-UHFFFAOYSA-N
MW442.10 g/mol
LogP4.64
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4774786) has the molecular formula C16H11BrCl2N4O2 and a molecular weight of 442.10 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4774786
Molecular FormulaC16H11BrCl2N4O2
Molecular Weight442.10 g/mol
Exact Mass439.94
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccn(COc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H11BrCl2N4O2/c17-10-4-5-14(20-8-10)21-16(24)12-6-7-23(22-12)9-25-13-3-1-2-11(18)15(13)19/h1-8H,9H2,(H,20,21,24)
InChIKeyOFQQYHFWZNMEFH-UHFFFAOYSA-N
XLogP4.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.10
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide
CID 19269594
N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19334987
1-[(2,3-dichlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19269620
N-(5-chloro-2-methylphenyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269515
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19322885
1-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19269522
1-[(2,3-dichlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19269696
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296854
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19274648
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19345634
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269642
1-[(2,3-dichlorophenoxy)methyl]-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 45147719

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide (CID 4774786) is N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide is O=C(Nc1ccc(Br)cn1)c1ccn(COc2cccc(Cl)c2Cl)n1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is OFQQYHFWZNMEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2N4O2/c17-10-4-5-14(20-8-10)21-16(24)12-6-7-23(22-12)9-25-13-3-1-2-11(18)15(13)19/h1-8H,9H2,(H,20,21,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 442.10 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4774786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).