(3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide

C13H20N4O3 — CID 110203525

IUPAC(3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1COC
InChIInChI=1S/C13H20N4O3/c1-14-12(18)11-7-17(6-10(11)8-20-3)13(19)9-4-15-16(2)5-9/h4-5,10-11H,6-8H2,1-3H3,(H,14,18)/t10-,11+/m0/s1
InChIKeyNVQYWJLLCGGHRA-WDEREUQCSA-N
MW280.33 g/mol
LogP-0.50
Rot. Bonds4

About (3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide

(3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110203525) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110203525
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1COC
InChIInChI=1S/C13H20N4O3/c1-14-12(18)11-7-17(6-10(11)8-20-3)13(19)9-4-15-16(2)5-9/h4-5,10-11H,6-8H2,1-3H3,(H,14,18)/t10-,11+/m0/s1
InChIKeyNVQYWJLLCGGHRA-WDEREUQCSA-N
XLogP-0.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97422243
1-tert-butyl-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70731216
(1-ethyl-1H-pyrazol-4-yl)[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]methanone
CID 91922301
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-methyl-1H-pyrazole-4-carboxamide
CID 91922802
(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
(3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 110203558
(3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 110203560
(3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 110203742
4-(Methoxymethyl)-N-methyl-1-[(1-methyl-1H-pyrazol-4-YL)methyl]pyrrolidine-3-carboxamide
CID 124052127
(3S,4S)-N-cyclopropyl-4-(hydroxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 124052220

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide (CID 110203525) is (3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1COC.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is NVQYWJLLCGGHRA-WDEREUQCSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-14-12(18)11-7-17(6-10(11)8-20-3)13(19)9-4-15-16(2)5-9/h4-5,10-11H,6-8H2,1-3H3,(H,14,18)/t10-,11+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).