N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide

C23H35N5O4 — CID 176976912

IUPACN-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide
SMILESCCn1nccc1-c1ccc(C(CO)NC(=O)C2CC(O)CN2C)c(OCCN(C)C)c1
InChIInChI=1S/C23H35N5O4/c1-5-28-20(8-9-24-28)16-6-7-18(22(12-16)32-11-10-26(2)3)19(15-29)25-23(31)21-13-17(30)14-27(21)4/h6-9,12,17,19,21,29-30H,5,10-11,13-15H2,1-4H3,(H,25,31)
InChIKeyQPCSWHZXPMHXFA-UHFFFAOYSA-N
MW445.56 g/mol
LogP0.73
Rot. Bonds10

About N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide

N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide (PubChem CID 176976912) has the molecular formula C23H35N5O4 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide
PubChem CID176976912
Molecular FormulaC23H35N5O4
Molecular Weight445.56 g/mol
Exact Mass445.27
IUPAC NameN-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide
SMILESCCn1nccc1-c1ccc(C(CO)NC(=O)C2CC(O)CN2C)c(OCCN(C)C)c1
InChIInChI=1S/C23H35N5O4/c1-5-28-20(8-9-24-28)16-6-7-18(22(12-16)32-11-10-26(2)3)19(15-29)25-23(31)21-13-17(30)14-27(21)4/h6-9,12,17,19,21,29-30H,5,10-11,13-15H2,1-4H3,(H,25,31)
InChIKeyQPCSWHZXPMHXFA-UHFFFAOYSA-N
XLogP0.73
TPSA103.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 176976916
N-[1-[4-(2-ethylpyrazol-3-yl)-2-(2-piperidin-4-ylethoxy)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 176976525
N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 176976555
1-(2,3-dimethylbutanoyl)-N-[1-[4-(2-ethylpyrazol-3-yl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-hydroxyethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 176976109
1-(2,3-dimethylbutanoyl)-N-[1-[4-(2-ethylpyrazol-3-yl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-hydroxyethyl]-4-hydroxypyrrolidine-2-carboxamide;ethane
CID 176976108
2,3-dimethylbutanal;ethane;N-[1-[4-(2-ethylpyrazol-3-yl)-2-piperidin-4-ylphenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 176976930
1-(2,3-dimethylbutanoyl)-N-[1-[4-(2-ethylpyrazol-3-yl)-2-piperidin-4-yloxyphenyl]-2-hydroxyethyl]-4-hydroxypyrrolidine-2-carboxamide;ethane
CID 176976376
1-(2,3-dimethylbutanoyl)-N-[1-[4-(2-ethylpyrazol-3-yl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 176976239
(2S,4R)-1-[(2S)-2-azido-3-methylbutanoyl]-N-[(1R)-1-[4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 169179988
1-(2,3-dimethylbutanoyl)-N-[1-[7-(2-ethylpyrazol-3-yl)-1,3-benzoxazol-4-yl]-2-hydroxyethyl]-4-hydroxypyrrolidine-2-carboxamide;ethane
CID 176976180
1-(2,3-dimethylbutanoyl)-N-[1-[4-(2-ethylpyrazol-3-yl)-1,3-benzothiazol-7-yl]-2-hydroxyethyl]-4-hydroxypyrrolidine-2-carboxamide;ethane
CID 176976581
N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide
CID 176976805

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide (CID 176976912) is N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide is CCn1nccc1-c1ccc(C(CO)NC(=O)C2CC(O)CN2C)c(OCCN(C)C)c1.
What is the InChIKey of N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
The InChIKey is QPCSWHZXPMHXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4/c1-5-28-20(8-9-24-28)16-6-7-18(22(12-16)32-11-10-26(2)3)19(15-29)25-23(31)21-13-17(30)14-27(21)4/h6-9,12,17,19,21,29-30H,5,10-11,13-15H2,1-4H3,(H,25,31).
What are the key properties of N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 0.73, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 176976912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).