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

C26H29N5O5 — CID 135218327

IUPAC4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1nn(-c2ccc(OC)cc2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1CCO
InChIInChI=1S/C26H29N5O5/c1-27-25(34)23-21(14-16-32)24(31(29-23)19-10-12-20(36-2)13-11-19)26(35)28-17-6-8-18(9-7-17)30-15-4-3-5-22(30)33/h6-13,32H,3-5,14-16H2,1-2H3,(H,27,34)(H,28,35)
InChIKeyJEDRZWXDIYZNSR-UHFFFAOYSA-N
MW491.55 g/mol
LogP2.54
Rot. Bonds8

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

4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide (PubChem CID 135218327) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide
PubChem CID135218327
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC Name4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1nn(-c2ccc(OC)cc2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1CCO
InChIInChI=1S/C26H29N5O5/c1-27-25(34)23-21(14-16-32)24(31(29-23)19-10-12-20(36-2)13-11-19)26(35)28-17-6-8-18(9-7-17)30-15-4-3-5-22(30)33/h6-13,32H,3-5,14-16H2,1-2H3,(H,27,34)(H,28,35)
InChIKeyJEDRZWXDIYZNSR-UHFFFAOYSA-N
XLogP2.54
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide
CID 135218233
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
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
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
3,5-dimethoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686372
1-(4-methoxyphenyl)-7-oxo-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 163543726
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000389
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8793414

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide (CID 135218327) is 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide is CNC(=O)c1nn(-c2ccc(OC)cc2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide?
The InChIKey is JEDRZWXDIYZNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-27-25(34)23-21(14-16-32)24(31(29-23)19-10-12-20(36-2)13-11-19)26(35)28-17-6-8-18(9-7-17)30-15-4-3-5-22(30)33/h6-13,32H,3-5,14-16H2,1-2H3,(H,27,34)(H,28,35).
What are the key properties of 4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide?
4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide has a molecular weight of 491.55 g/mol, XLogP of 2.54, 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)-3-N-methyl-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 135218327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).