N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide

C18H23N5O2 — CID 97073584

IUPACN'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H23N5O2/c1-13-10-20-23(16(13)21-18(25)17(24)19-2)15-8-9-22(12-15)11-14-6-4-3-5-7-14/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,19,24)(H,21,25)/t15-/m0/s1
InChIKeyYCZZSUQPQBQHKE-HNNXBMFYSA-N
MW341.42 g/mol
LogP1.32
Rot. Bonds4

About N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide

N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide (PubChem CID 97073584) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide
PubChem CID97073584
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H23N5O2/c1-13-10-20-23(16(13)21-18(25)17(24)19-2)15-8-9-22(12-15)11-14-6-4-3-5-7-14/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,19,24)(H,21,25)/t15-/m0/s1
InChIKeyYCZZSUQPQBQHKE-HNNXBMFYSA-N
XLogP1.32
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride
CID 120705203
N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide
CID 99627695
N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]ethanesulfonamide
CID 86799085
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 124588979
2-(1-benzylpiperidin-4-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide
CID 134708490
1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
CID 23852464
methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate
CID 160510885
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide?
The IUPAC name of N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide (CID 97073584) is N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide.
What is the SMILES notation for N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide?
The canonical SMILES for N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide is CNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide?
The InChIKey is YCZZSUQPQBQHKE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-10-20-23(16(13)21-18(25)17(24)19-2)15-8-9-22(12-15)11-14-6-4-3-5-7-14/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,19,24)(H,21,25)/t15-/m0/s1.
What are the key properties of N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide?
N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide has a molecular weight of 341.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide is sourced from PubChem (CID 97073584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).