4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide

C25H27N5O5 — CID 135218233

IUPAC4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c(CCO)c2C(=O)Nc2ccc(N3CCCCC3=O)cc2)cc1
InChIInChI=1S/C25H27N5O5/c1-35-19-11-9-18(10-12-19)30-23(20(13-15-31)22(28-30)24(26)33)25(34)27-16-5-7-17(8-6-16)29-14-3-2-4-21(29)32/h5-12,31H,2-4,13-15H2,1H3,(H2,26,33)(H,27,34)
InChIKeyUYIIISSKGRNLIC-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.28
Rot. Bonds8

About 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide

4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide (PubChem CID 135218233) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide
PubChem CID135218233
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c(CCO)c2C(=O)Nc2ccc(N3CCCCC3=O)cc2)cc1
InChIInChI=1S/C25H27N5O5/c1-35-19-11-9-18(10-12-19)30-23(20(13-15-31)22(28-30)24(26)33)25(34)27-16-5-7-17(8-6-16)29-14-3-2-4-21(29)32/h5-12,31H,2-4,13-15H2,1H3,(H2,26,33)(H,27,34)
InChIKeyUYIIISSKGRNLIC-UHFFFAOYSA-N
XLogP2.28
TPSA139.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide
CID 135218327
4-(2-chloroethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide;ethane
CID 142399111
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
1-(4-methoxyphenyl)-7-oxo-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 163543726
2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide
CID 71796477
ethane;3-ethyl-4-(2-hydroxyethyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 143370722
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 158695238
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
3,5-dimethoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686372
N,N-dideuterio-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 25208012

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide (CID 135218233) is 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide is COc1ccc(-n2nc(C(N)=O)c(CCO)c2C(=O)Nc2ccc(N3CCCCC3=O)cc2)cc1.
What is the InChIKey of 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide?
The InChIKey is UYIIISSKGRNLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-35-19-11-9-18(10-12-19)30-23(20(13-15-31)22(28-30)24(26)33)25(34)27-16-5-7-17(8-6-16)29-14-3-2-4-21(29)32/h5-12,31H,2-4,13-15H2,1H3,(H2,26,33)(H,27,34).
What are the key properties of 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide?
4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide has a molecular weight of 477.52 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 135218233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).