5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C20H19BrN4O2 — CID 55826680

IUPAC5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NC2(c3ccc(Br)cc3)CC2)=NN1c1ccccc1
InChIInChI=1S/C20H19BrN4O2/c21-14-8-6-13(7-9-14)20(10-11-20)23-19(27)16-12-17(18(22)26)25(24-16)15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H2,22,26)(H,23,27)
InChIKeyHFFWKEASARZSBZ-UHFFFAOYSA-N
MW427.30 g/mol
LogP2.67
Rot. Bonds5

About 5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55826680) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID55826680
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NC2(c3ccc(Br)cc3)CC2)=NN1c1ccccc1
InChIInChI=1S/C20H19BrN4O2/c21-14-8-6-13(7-9-14)20(10-11-20)23-19(27)16-12-17(18(22)26)25(24-16)15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H2,22,26)(H,23,27)
InChIKeyHFFWKEASARZSBZ-UHFFFAOYSA-N
XLogP2.67
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55826680) is 5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)NC2(c3ccc(Br)cc3)CC2)=NN1c1ccccc1.
What is the InChIKey of 5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is HFFWKEASARZSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c21-14-8-6-13(7-9-14)20(10-11-20)23-19(27)16-12-17(18(22)26)25(24-16)15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H2,22,26)(H,23,27).
What are the key properties of 5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 427.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55826680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).