4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide

C19H17BrN4O2 — CID 56575763

IUPAC4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide
SMILESCc1nn(C)c(NC(=O)c2ccc(C(N)=O)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C19H17BrN4O2/c1-11-16(12-7-9-15(20)10-8-12)18(24(2)23-11)22-19(26)14-5-3-13(4-6-14)17(21)25/h3-10H,1-2H3,(H2,21,25)(H,22,26)
InChIKeyZREICZZYULVVOS-UHFFFAOYSA-N
MW413.28 g/mol
LogP3.51
Rot. Bonds4

About 4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide

4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide (PubChem CID 56575763) has the molecular formula C19H17BrN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is 4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide
PubChem CID56575763
Molecular FormulaC19H17BrN4O2
Molecular Weight413.28 g/mol
Exact Mass412.05
IUPAC Name4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide
SMILESCc1nn(C)c(NC(=O)c2ccc(C(N)=O)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C19H17BrN4O2/c1-11-16(12-7-9-15(20)10-8-12)18(24(2)23-11)22-19(26)14-5-3-13(4-6-14)17(21)25/h3-10H,1-2H3,(H2,21,25)(H,22,26)
InChIKeyZREICZZYULVVOS-UHFFFAOYSA-N
XLogP3.51
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide
CID 56536302
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 56573525
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56536270
2-(4-aminophenyl)-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]acetamide;hydrochloride
CID 86813996
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 56536132
N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 2810235
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 56536220
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56575797
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 56536076
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide
CID 56536116
(E)-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 56536098
1-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
CID 97248292

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide (CID 56575763) is 4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide is Cc1nn(C)c(NC(=O)c2ccc(C(N)=O)cc2)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide?
The InChIKey is ZREICZZYULVVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O2/c1-11-16(12-7-9-15(20)10-8-12)18(24(2)23-11)22-19(26)14-5-3-13(4-6-14)17(21)25/h3-10H,1-2H3,(H2,21,25)(H,22,26).
What are the key properties of 4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide?
4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide has a molecular weight of 413.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 56575763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).