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

C21H31N5O3 — CID 176976555

IUPACN-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide
SMILESCN(C)CCn1nccc1-c1ccc(C(CO)NC(=O)C2CC(O)CN2C)cc1
InChIInChI=1S/C21H31N5O3/c1-24(2)10-11-26-19(8-9-22-26)16-6-4-15(5-7-16)18(14-27)23-21(29)20-12-17(28)13-25(20)3/h4-9,17-18,20,27-28H,10-14H2,1-3H3,(H,23,29)
InChIKeyOLRGZMBTULACLF-UHFFFAOYSA-N
MW401.51 g/mol
LogP0.33
Rot. Bonds8

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

N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide (PubChem CID 176976555) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide
PubChem CID176976555
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC NameN-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide
SMILESCN(C)CCn1nccc1-c1ccc(C(CO)NC(=O)C2CC(O)CN2C)cc1
InChIInChI=1S/C21H31N5O3/c1-24(2)10-11-26-19(8-9-22-26)16-6-4-15(5-7-16)18(14-27)23-21(29)20-12-17(28)13-25(20)3/h4-9,17-18,20,27-28H,10-14H2,1-3H3,(H,23,29)
InChIKeyOLRGZMBTULACLF-UHFFFAOYSA-N
XLogP0.33
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 176976912
(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
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-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 176976916
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
tert-butyl (2S,4R)-4-hydroxy-2-[[(1R)-2-hydroxy-1-(4-pyrimidin-2-ylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 175991808
tert-butyl (2S,4R)-2-[[(1R)-1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 170955527
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
tert-butyl (2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 166035333
(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 146548469
(2S,4R)-1-[(2S)-2-amino-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 164875436

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide (CID 176976555) is N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide is CN(C)CCn1nccc1-c1ccc(C(CO)NC(=O)C2CC(O)CN2C)cc1.
What is the InChIKey of N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
The InChIKey is OLRGZMBTULACLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-24(2)10-11-26-19(8-9-22-26)16-6-4-15(5-7-16)18(14-27)23-21(29)20-12-17(28)13-25(20)3/h4-9,17-18,20,27-28H,10-14H2,1-3H3,(H,23,29).
What are the key properties of N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-2-hydroxyethyl]-4-hydroxy-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 176976555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).