N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

C19H24N4O4 — CID 56745555

IUPACN-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCOc1cccc(OCc2cc(C(=O)N3CCC(N(C)C(C)=O)C3)n[nH]2)c1
InChIInChI=1S/C19H24N4O4/c1-13(24)22(2)15-7-8-23(11-15)19(25)18-9-14(20-21-18)12-27-17-6-4-5-16(10-17)26-3/h4-6,9-10,15H,7-8,11-12H2,1-3H3,(H,20,21)
InChIKeyCKDIMRODNPYLFR-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.69
Rot. Bonds6

About N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 56745555) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
PubChem CID56745555
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCOc1cccc(OCc2cc(C(=O)N3CCC(N(C)C(C)=O)C3)n[nH]2)c1
InChIInChI=1S/C19H24N4O4/c1-13(24)22(2)15-7-8-23(11-15)19(25)18-9-14(20-21-18)12-27-17-6-4-5-16(10-17)26-3/h4-6,9-10,15H,7-8,11-12H2,1-3H3,(H,20,21)
InChIKeyCKDIMRODNPYLFR-UHFFFAOYSA-N
XLogP1.69
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
CID 45191198
ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 42591314
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-yl]methanone
CID 56856200
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
(3S)-1-[5-[(3-acetylphenoxy)methyl]-1H-pyrazole-3-carbonyl]-N-methylpyrrolidine-3-carboxamide
CID 95211608
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 95217455
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95191517
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42196298
1-[3-[[3-(thiomorpholine-4-carbonyl)-1H-pyrazol-5-yl]methoxy]phenyl]ethanone
CID 42520699
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 95219998
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 56748579
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 56749784

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (CID 56745555) is N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is COc1cccc(OCc2cc(C(=O)N3CCC(N(C)C(C)=O)C3)n[nH]2)c1.
What is the InChIKey of N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is CKDIMRODNPYLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13(24)22(2)15-7-8-23(11-15)19(25)18-9-14(20-21-18)12-27-17-6-4-5-16(10-17)26-3/h4-6,9-10,15H,7-8,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 372.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 56745555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).