N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

C13H22N4O2 — CID 50952291

IUPACN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)C1CCNC1
InChIInChI=1S/C13H22N4O2/c1-16-9-11(7-15-16)10-17(5-6-19-2)13(18)12-3-4-14-8-12/h7,9,12,14H,3-6,8,10H2,1-2H3
InChIKeyZNOXJURERGWXFY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.00
Rot. Bonds6

About N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 50952291) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID50952291
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)C1CCNC1
InChIInChI=1S/C13H22N4O2/c1-16-9-11(7-15-16)10-17(5-6-19-2)13(18)12-3-4-14-8-12/h7,9,12,14H,3-6,8,10H2,1-2H3
InChIKeyZNOXJURERGWXFY-UHFFFAOYSA-N
XLogP0.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rac-(4R,5S)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164147
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
1-[2-[2-[(4-Methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one
CID 53600120
N-[rel-(3R,4S)-1-(2-methoxyethyl)-4-propyl-3-pyrrolidinyl]-2-(4-methyl-1H-pyrazol-1-yl)acetamide hydrochloride
CID 72866913
1-tert-butyl-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70731216
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923160
N-{4-[(Dimethylamino)methyl]-1-(oxan-4-YL)pyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923204
(3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203516
(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
CID 110203520
(3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110203522
4-(Methoxymethyl)-N-methyl-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 110203525

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 50952291) is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is COCCN(Cc1cnn(C)c1)C(=O)C1CCNC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is ZNOXJURERGWXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16-9-11(7-15-16)10-17(5-6-19-2)13(18)12-3-4-14-8-12/h7,9,12,14H,3-6,8,10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 50952291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).