N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C18H24N4O2 — CID 124573955

IUPACN-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1ccccc1N1CC[C@@H](CNC(=O)Cc2cc(C)[nH]n2)C1
InChIInChI=1S/C18H24N4O2/c1-13-9-15(21-20-13)10-18(23)19-11-14-7-8-22(12-14)16-5-3-4-6-17(16)24-2/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,19,23)(H,20,21)/t14-/m0/s1
InChIKeySYWOQSRZOUXWEG-AWEZNQCLSA-N
MW328.42 g/mol
LogP1.91
Rot. Bonds6

About N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 124573955) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID124573955
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1ccccc1N1CC[C@@H](CNC(=O)Cc2cc(C)[nH]n2)C1
InChIInChI=1S/C18H24N4O2/c1-13-9-15(21-20-13)10-18(23)19-11-14-7-8-22(12-14)16-5-3-4-6-17(16)24-2/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,19,23)(H,20,21)/t14-/m0/s1
InChIKeySYWOQSRZOUXWEG-AWEZNQCLSA-N
XLogP1.91
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
CID 119870925
4-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565194
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
7-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]heptanamide
CID 119870913
5-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645819
2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 125174267
3-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953556
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
CID 125145752
2-hydroxy-4-methoxy-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 97000051
(1S,2R,4S)-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98731066
N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52508647

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 124573955) is N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is COc1ccccc1N1CC[C@@H](CNC(=O)Cc2cc(C)[nH]n2)C1.
What is the InChIKey of N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is SYWOQSRZOUXWEG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-9-15(21-20-13)10-18(23)19-11-14-7-8-22(12-14)16-5-3-4-6-17(16)24-2/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,19,23)(H,20,21)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 124573955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).