1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone

C19H25N3O2 — CID 56779486

IUPAC1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC1Cn1nc(C)cc1C
InChIInChI=1S/C19H25N3O2/c1-14-11-15(2)22(20-14)13-17-8-6-10-21(17)19(23)12-16-7-4-5-9-18(16)24-3/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3
InChIKeyOZXVVCBHOCMXKO-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.74
Rot. Bonds5

About 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 56779486) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID56779486
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC1Cn1nc(C)cc1C
InChIInChI=1S/C19H25N3O2/c1-14-11-15(2)22(20-14)13-17-8-6-10-21(17)19(23)12-16-7-4-5-9-18(16)24-3/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3
InChIKeyOZXVVCBHOCMXKO-UHFFFAOYSA-N
XLogP2.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 56779486) is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCCC1Cn1nc(C)cc1C.
What is the InChIKey of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is OZXVVCBHOCMXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-11-15(2)22(20-14)13-17-8-6-10-21(17)19(23)12-16-7-4-5-9-18(16)24-3/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3.
What are the key properties of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 56779486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).