1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide

C16H12BrClN4O2 — CID 19274382

IUPAC1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1ccn(COc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C16H12BrClN4O2/c17-13-9-11(18)1-2-15(13)24-10-22-8-5-14(21-22)16(23)20-12-3-6-19-7-4-12/h1-9H,10H2,(H,19,20,23)
InChIKeyNSAAWYSUWKRRCV-UHFFFAOYSA-N
MW407.66 g/mol
LogP3.98
Rot. Bonds5

About 1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide

1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 19274382) has the molecular formula C16H12BrClN4O2 and a molecular weight of 407.66 g/mol. Its IUPAC name is 1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID19274382
Molecular FormulaC16H12BrClN4O2
Molecular Weight407.66 g/mol
Exact Mass405.98
IUPAC Name1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1ccn(COc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C16H12BrClN4O2/c17-13-9-11(18)1-2-15(13)24-10-22-8-5-14(21-22)16(23)20-12-3-6-19-7-4-12/h1-9H,10H2,(H,19,20,23)
InChIKeyNSAAWYSUWKRRCV-UHFFFAOYSA-N
XLogP3.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.66
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide
CID 19274639
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-fluoro-4-methylphenyl)pyrazole-3-carboxamide
CID 4865633
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19274429
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19274455
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19274591
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19274404
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 19274630
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19274625
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 4777025
N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19277888
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19274612
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide (CID 19274382) is 1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide is O=C(Nc1ccncc1)c1ccn(COc2ccc(Cl)cc2Br)n1.
What is the InChIKey of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is NSAAWYSUWKRRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN4O2/c17-13-9-11(18)1-2-15(13)24-10-22-8-5-14(21-22)16(23)20-12-3-6-19-7-4-12/h1-9H,10H2,(H,19,20,23).
What are the key properties of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide?
1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 407.66 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 19274382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).