N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C19H26N4O2 — CID 128981939

IUPACN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)N(C)C1
InChIInChI=1S/C19H26N4O2/c1-13-5-7-14(8-6-13)17-10-18(21-20-17)19(24)23(3)11-15-9-16(25-4)12-22(15)2/h5-8,10,15-16H,9,11-12H2,1-4H3,(H,20,21)/t15-,16-/m0/s1
InChIKeyWTLHVNYDSFGNJM-HOTGVXAUSA-N
MW342.44 g/mol
LogP2.18
Rot. Bonds5

About N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 128981939) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID128981939
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)N(C)C1
InChIInChI=1S/C19H26N4O2/c1-13-5-7-14(8-6-13)17-10-18(21-20-17)19(24)23(3)11-15-9-16(25-4)12-22(15)2/h5-8,10,15-16H,9,11-12H2,1-4H3,(H,20,21)/t15-,16-/m0/s1
InChIKeyWTLHVNYDSFGNJM-HOTGVXAUSA-N
XLogP2.18
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 128981937
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide
CID 128981964
3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 128982012
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide
CID 128981996
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylbenzotriazole-5-carboxamide
CID 128982032
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 75392281
4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 128987256
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37137994
1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine
CID 128984532
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515544
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515538

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 128981939) is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)N(C)C1.
What is the InChIKey of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WTLHVNYDSFGNJM-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-5-7-14(8-6-13)17-10-18(21-20-17)19(24)23(3)11-15-9-16(25-4)12-22(15)2/h5-8,10,15-16H,9,11-12H2,1-4H3,(H,20,21)/t15-,16-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 128981939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).