N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

C19H24N4O3 — CID 45246334

IUPACN-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(CCN2CC(NC(=O)c3cc(C)n(C)n3)CC2=O)cc1
InChIInChI=1S/C19H24N4O3/c1-13-10-17(21-22(13)2)19(25)20-15-11-18(24)23(12-15)9-8-14-4-6-16(26-3)7-5-14/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,20,25)
InChIKeyWVFWQOOZZPONMR-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.31
Rot. Bonds6

About N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 45246334) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID45246334
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(CCN2CC(NC(=O)c3cc(C)n(C)n3)CC2=O)cc1
InChIInChI=1S/C19H24N4O3/c1-13-10-17(21-22(13)2)19(25)20-15-11-18(24)23(12-15)9-8-14-4-6-16(26-3)7-5-14/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,20,25)
InChIKeyWVFWQOOZZPONMR-UHFFFAOYSA-N
XLogP1.31
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 42195544
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
CID 25308070
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 42475396
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 26335253
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-propan-2-ylsulfanylacetamide
CID 95730256
N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-3-carboxamide
CID 56894023
1-(3-methoxyphenyl)-3-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]urea
CID 42516811
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
CID 25282898
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 42189825
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 42210577

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 45246334) is N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is COc1ccc(CCN2CC(NC(=O)c3cc(C)n(C)n3)CC2=O)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is WVFWQOOZZPONMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-10-17(21-22(13)2)19(25)20-15-11-18(24)23(12-15)9-8-14-4-6-16(26-3)7-5-14/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,20,25).
What are the key properties of N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 45246334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).