N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide

C18H24N4O2 — CID 86792973

IUPACN-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide
SMILESCOc1cccc(-c2cc(NC(=O)N3C(C)CCC3C)n(C)n2)c1
InChIInChI=1S/C18H24N4O2/c1-12-8-9-13(2)22(12)18(23)19-17-11-16(20-21(17)3)14-6-5-7-15(10-14)24-4/h5-7,10-13H,8-9H2,1-4H3,(H,19,23)
InChIKeyVDYSZTCBUJIYBY-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.50
Rot. Bonds3

About N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide

N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide (PubChem CID 86792973) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide
PubChem CID86792973
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide
SMILESCOc1cccc(-c2cc(NC(=O)N3C(C)CCC3C)n(C)n2)c1
InChIInChI=1S/C18H24N4O2/c1-12-8-9-13(2)22(12)18(23)19-17-11-16(20-21(17)3)14-6-5-7-15(10-14)24-4/h5-7,10-13H,8-9H2,1-4H3,(H,19,23)
InChIKeyVDYSZTCBUJIYBY-UHFFFAOYSA-N
XLogP3.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]thiadiazole-4-carboxamide
CID 75394492
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
3-(3-methoxyphenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 71809697
6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
CID 155287780
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90587040
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678
N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088704
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088698
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
(3-cyclohexylsulfonylazetidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 90593960
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586549
3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
CID 121088697

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide (CID 86792973) is N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide is COc1cccc(-c2cc(NC(=O)N3C(C)CCC3C)n(C)n2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide?
The InChIKey is VDYSZTCBUJIYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-8-9-13(2)22(12)18(23)19-17-11-16(20-21(17)3)14-6-5-7-15(10-14)24-4/h5-7,10-13H,8-9H2,1-4H3,(H,19,23).
What are the key properties of N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide?
N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 86792973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).