(3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C16H27N5O3 — CID 120925181

IUPAC(3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C16H27N5O3/c1-19(2)15(22)11-21(5-6-24-4)16(23)14-9-17-8-13(14)12-7-18-20(3)10-12/h7,10,13-14,17H,5-6,8-9,11H2,1-4H3/t13-,14+/m1/s1
InChIKeyBYBXRFBLCFZNKT-KGLIPLIRSA-N
MW337.42 g/mol
LogP-0.71
Rot. Bonds7

About (3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120925181) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120925181
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name(3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C16H27N5O3/c1-19(2)15(22)11-21(5-6-24-4)16(23)14-9-17-8-13(14)12-7-18-20(3)10-12/h7,10,13-14,17H,5-6,8-9,11H2,1-4H3/t13-,14+/m1/s1
InChIKeyBYBXRFBLCFZNKT-KGLIPLIRSA-N
XLogP-0.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936377
(3R,4S)-N,N-dibenzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120916882
(3R,4S)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120919602
(3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride
CID 120927479
(3R,4S)-N-methyl-N-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120921655
(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 120942184
(3R,4S)-N-[1-(2-methoxyethoxy)propan-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120935148
(3R,4S)-N-[(4-ethylphenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918369
(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120942946
(3R,4S)-N-ethyl-N-[(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120924085
[4-[(dimethylamino)methyl]piperidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120939318
(3R,4S)-N-benzyl-N-(2,2-difluoroethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935641

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120925181) is (3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is COCCN(CC(=O)N(C)C)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.
What is the InChIKey of (3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is BYBXRFBLCFZNKT-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-19(2)15(22)11-21(5-6-24-4)16(23)14-9-17-8-13(14)12-7-18-20(3)10-12/h7,10,13-14,17H,5-6,8-9,11H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of -0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120925181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).