1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide

C20H33N5O3 — CID 166616191

IUPAC1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2C)c1C
InChIInChI=1S/C20H33N5O3/c1-5-25-15(3)19(14(2)22-25)20(27)21-13-17-7-6-16(23(17)4)12-18(26)24-8-10-28-11-9-24/h16-17H,5-13H2,1-4H3,(H,21,27)/t16-,17+/m1/s1
InChIKeyWNHAQDIJIGSASW-SJORKVTESA-N
MW391.52 g/mol
LogP0.96
Rot. Bonds6

About 1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide

1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 166616191) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID166616191
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2C)c1C
InChIInChI=1S/C20H33N5O3/c1-5-25-15(3)19(14(2)22-25)20(27)21-13-17-7-6-16(23(17)4)12-18(26)24-8-10-28-11-9-24/h16-17H,5-13H2,1-4H3,(H,21,27)/t16-,17+/m1/s1
InChIKeyWNHAQDIJIGSASW-SJORKVTESA-N
XLogP0.96
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171910861
2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 166620853
4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 171386005
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 165424010
(E)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3-phenylprop-2-enamide
CID 165426080
2-(3-chlorophenyl)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]acetamide;formic acid
CID 171709665
2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 165427835
formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide
CID 171712151
1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 19472103
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 166624227
1-ethyl-3,5-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazole-4-carboxamide
CID 91797549
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide
CID 166618901

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide (CID 166616191) is 1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide is CCn1nc(C)c(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2C)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is WNHAQDIJIGSASW-SJORKVTESA-N. The full InChI is InChI=1S/C20H33N5O3/c1-5-25-15(3)19(14(2)22-25)20(27)21-13-17-7-6-16(23(17)4)12-18(26)24-8-10-28-11-9-24/h16-17H,5-13H2,1-4H3,(H,21,27)/t16-,17+/m1/s1.
What are the key properties of 1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166616191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).