1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide

C20H14Br2N4O2 — CID 19272261

IUPAC1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1ccn(COc2ccc(Br)cc2)n1
InChIInChI=1S/C20H14Br2N4O2/c21-13-3-5-14(6-4-13)28-12-26-11-9-18(25-26)20(27)24-17-8-7-16(22)15-2-1-10-23-19(15)17/h1-11H,12H2,(H,24,27)
InChIKeyUXMMJHRXMULFHG-UHFFFAOYSA-N
MW502.17 g/mol
LogP5.25
Rot. Bonds5

About 1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide

1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide (PubChem CID 19272261) has the molecular formula C20H14Br2N4O2 and a molecular weight of 502.17 g/mol. Its IUPAC name is 1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide
PubChem CID19272261
Molecular FormulaC20H14Br2N4O2
Molecular Weight502.17 g/mol
Exact Mass499.95
IUPAC Name1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1ccn(COc2ccc(Br)cc2)n1
InChIInChI=1S/C20H14Br2N4O2/c21-13-3-5-14(6-4-13)28-12-26-11-9-18(25-26)20(27)24-17-8-7-16(22)15-2-1-10-23-19(15)17/h1-11H,12H2,(H,24,27)
InChIKeyUXMMJHRXMULFHG-UHFFFAOYSA-N
XLogP5.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.17
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromoquinolin-8-yl)-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269826
N-(5-bromoquinolin-8-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265389
1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19272389
1-[(4-bromophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
CID 19272514
N-(4-bromo-2-fluorophenyl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273670
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280381
1-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19404021
N-quinolin-8-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 35326841
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19286005
4-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396359
1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19581546

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide (CID 19272261) is 1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide is O=C(Nc1ccc(Br)c2cccnc12)c1ccn(COc2ccc(Br)cc2)n1.
What is the InChIKey of 1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide?
The InChIKey is UXMMJHRXMULFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2N4O2/c21-13-3-5-14(6-4-13)28-12-26-11-9-18(25-26)20(27)24-17-8-7-16(22)15-2-1-10-23-19(15)17/h1-11H,12H2,(H,24,27).
What are the key properties of 1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide?
1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide has a molecular weight of 502.17 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 19272261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).