2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C23H28BrN5O3 — CID 46279071

IUPAC2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN1C(=O)c2cc(C(=O)NCc3cccc(Br)c3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C23H28BrN5O3/c1-3-28-21(31)19-12-18(20(30)25-13-15-7-6-8-16(24)11-15)27-29(19)14-23(28,2)22(32)26-17-9-4-5-10-17/h6-8,11-12,17H,3-5,9-10,13-14H2,1-2H3,(H,25,30)(H,26,32)
InChIKeyWGEQSSBHINZWFY-UHFFFAOYSA-N
MW502.41 g/mol
LogP2.87
Rot. Bonds6

About 2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46279071) has the molecular formula C23H28BrN5O3 and a molecular weight of 502.41 g/mol. Its IUPAC name is 2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46279071
Molecular FormulaC23H28BrN5O3
Molecular Weight502.41 g/mol
Exact Mass501.14
IUPAC Name2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN1C(=O)c2cc(C(=O)NCc3cccc(Br)c3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C23H28BrN5O3/c1-3-28-21(31)19-12-18(20(30)25-13-15-7-6-8-16(24)11-15)27-29(19)14-23(28,2)22(32)26-17-9-4-5-10-17/h6-8,11-12,17H,3-5,9-10,13-14H2,1-2H3,(H,25,30)(H,26,32)
InChIKeyWGEQSSBHINZWFY-UHFFFAOYSA-N
XLogP2.87
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
CID 135319024
CP-220629
CID 9949129
6-Benzyl-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10496166
1-Cyclopentyl-3-ethyl-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10828701
5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418177
3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide
CID 146822183
5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 153297976
N,N'-dibenzyl-1-methyl-1H-pyrazole-3,5-dicarboxamide
CID 667945
5-ethyl-N-[1-(2-fluorobenzyl)-3-piperidyl]-2-methyl-pyrazole-3-carboxamide
CID 24790764
5-[(4-Methylphenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 137658311
4-bromo-1,3-dimethyl-N-[3-(4-morpholinylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 998824
3-Bromo-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]benzamide
CID 916124

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46279071) is 2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCN1C(=O)c2cc(C(=O)NCc3cccc(Br)c3)nn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is WGEQSSBHINZWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN5O3/c1-3-28-21(31)19-12-18(20(30)25-13-15-7-6-8-16(24)11-15)27-29(19)14-23(28,2)22(32)26-17-9-4-5-10-17/h6-8,11-12,17H,3-5,9-10,13-14H2,1-2H3,(H,25,30)(H,26,32).
What are the key properties of 2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 502.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-bromophenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46279071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).