1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide

C17H13Br2N3O — CID 50772799

IUPAC1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H13Br2N3O/c18-14-4-6-16(7-5-14)22-11-13(10-21-22)17(23)20-9-12-2-1-3-15(19)8-12/h1-8,10-11H,9H2,(H,20,23)
InChIKeyNMTJSIBXPIXOEM-UHFFFAOYSA-N
MW435.12 g/mol
LogP4.33
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide

1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 50772799) has the molecular formula C17H13Br2N3O and a molecular weight of 435.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide
PubChem CID50772799
Molecular FormulaC17H13Br2N3O
Molecular Weight435.12 g/mol
Exact Mass432.94
IUPAC Name1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H13Br2N3O/c18-14-4-6-16(7-5-14)22-11-13(10-21-22)17(23)20-9-12-2-1-3-15(19)8-12/h1-8,10-11H,9H2,(H,20,23)
InChIKeyNMTJSIBXPIXOEM-UHFFFAOYSA-N
XLogP4.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.12
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55851572
4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide
CID 55628846
1-(4-bromophenyl)-N-(3-hydroxypropyl)pyrazole-4-carboxamide
CID 78888800
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
CID 55773919
1-(4-bromophenyl)-N-hexylpyrazole-4-carboxamide
CID 55771523
1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119508703
1-(3-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide
CID 119505644
N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
CID 56586341
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 78888339
N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119498873
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide (CID 50772799) is 1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide is O=C(NCc1cccc(Br)c1)c1cnn(-c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is NMTJSIBXPIXOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br2N3O/c18-14-4-6-16(7-5-14)22-11-13(10-21-22)17(23)20-9-12-2-1-3-15(19)8-12/h1-8,10-11H,9H2,(H,20,23).
What are the key properties of 1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 435.12 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 50772799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).