N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide

C24H24BrN5O2 — CID 20961213

IUPACN-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCc2ccc(Br)cc2)nc2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C24H24BrN5O2/c1-3-29-23-22(16(2)28-30(23)19-7-5-4-6-8-19)27-20(24(29)32)13-14-21(31)26-15-17-9-11-18(25)12-10-17/h4-12H,3,13-15H2,1-2H3,(H,26,31)
InChIKeyXQIRYPQKLFTCGS-UHFFFAOYSA-N
MW494.39 g/mol
LogP3.92
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide

N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide (PubChem CID 20961213) has the molecular formula C24H24BrN5O2 and a molecular weight of 494.39 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
PubChem CID20961213
Molecular FormulaC24H24BrN5O2
Molecular Weight494.39 g/mol
Exact Mass493.11
IUPAC NameN-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCc2ccc(Br)cc2)nc2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C24H24BrN5O2/c1-3-29-23-22(16(2)28-30(23)19-7-5-4-6-8-19)27-20(24(29)32)13-14-21(31)26-15-17-9-11-18(25)12-10-17/h4-12H,3,13-15H2,1-2H3,(H,26,31)
InChIKeyXQIRYPQKLFTCGS-UHFFFAOYSA-N
XLogP3.92
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide
CID 20961209
N-[(4-chlorophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 46346260
N-[(2-ethoxyphenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 20961207
N-(2,6-dimethylphenyl)-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 46346232
3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 46346235
3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 20961125
N-benzyl-3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961356
3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 20961095
N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961304
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
N-(1,3-benzodioxol-5-ylmethyl)-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
CID 20961047
3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 20961306

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide (CID 20961213) is N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide is CCn1c(=O)c(CCC(=O)NCc2ccc(Br)cc2)nc2c(C)nn(-c3ccccc3)c21.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide?
The InChIKey is XQIRYPQKLFTCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN5O2/c1-3-29-23-22(16(2)28-30(23)19-7-5-4-6-8-19)27-20(24(29)32)13-14-21(31)26-15-17-9-11-18(25)12-10-17/h4-12H,3,13-15H2,1-2H3,(H,26,31).
What are the key properties of N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide?
N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide has a molecular weight of 494.39 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide is sourced from PubChem (CID 20961213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).