(2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C18H24N4O2 — CID 128980218

IUPAC(2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NCc2cccc(Cn3cccn3)c2)N(C)C1
InChIInChI=1S/C18H24N4O2/c1-21-13-16(24-2)10-17(21)18(23)19-11-14-5-3-6-15(9-14)12-22-8-4-7-20-22/h3-9,16-17H,10-13H2,1-2H3,(H,19,23)/t16-,17-/m0/s1
InChIKeyHPLCEYDVAZYBBB-IRXDYDNUSA-N
MW328.42 g/mol
LogP1.27
Rot. Bonds6

About (2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 128980218) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID128980218
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NCc2cccc(Cn3cccn3)c2)N(C)C1
InChIInChI=1S/C18H24N4O2/c1-21-13-16(24-2)10-17(21)18(23)19-11-14-5-3-6-15(9-14)12-22-8-4-7-20-22/h3-9,16-17H,10-13H2,1-2H3,(H,19,23)/t16-,17-/m0/s1
InChIKeyHPLCEYDVAZYBBB-IRXDYDNUSA-N
XLogP1.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 128980178
(2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide
CID 128980203
(2S,4S)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128985689
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266
(2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide
CID 128985002
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55953640
1-(4-ethylphenyl)-5-oxo-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 60552206
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119744682
2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119301023
5-(acetamidomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166225358

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 128980218) is (2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)NCc2cccc(Cn3cccn3)c2)N(C)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is HPLCEYDVAZYBBB-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-13-16(24-2)10-17(21)18(23)19-11-14-5-3-6-15(9-14)12-22-8-4-7-20-22/h3-9,16-17H,10-13H2,1-2H3,(H,19,23)/t16-,17-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 128980218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).