3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide

C21H32N4O2 — CID 55981169

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCOCCN(Cc1ccccn1)C(=O)CCc1c(C)nn(CC(C)C)c1C
InChIInChI=1S/C21H32N4O2/c1-16(2)14-25-18(4)20(17(3)23-25)9-10-21(26)24(12-13-27-5)15-19-8-6-7-11-22-19/h6-8,11,16H,9-10,12-15H2,1-5H3
InChIKeyVTXAHTOPXGTZJD-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.16
Rot. Bonds10

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 55981169) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID55981169
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCOCCN(Cc1ccccn1)C(=O)CCc1c(C)nn(CC(C)C)c1C
InChIInChI=1S/C21H32N4O2/c1-16(2)14-25-18(4)20(17(3)23-25)9-10-21(26)24(12-13-27-5)15-19-8-6-7-11-22-19/h6-8,11,16H,9-10,12-15H2,1-5H3
InChIKeyVTXAHTOPXGTZJD-UHFFFAOYSA-N
XLogP3.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
CID 55594630
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
2-[benzyl-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]amino]acetic acid
CID 119196717
N-(4-bromophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 55886741
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethyl-N-(2-methylphenyl)propanamide
CID 52564198
3-(tert-butylamino)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 60953797
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56510894
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
CID 134016225
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(N-methylanilino)ethyl]propanamide
CID 31688293

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide (CID 55981169) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide is COCCN(Cc1ccccn1)C(=O)CCc1c(C)nn(CC(C)C)c1C.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is VTXAHTOPXGTZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16(2)14-25-18(4)20(17(3)23-25)9-10-21(26)24(12-13-27-5)15-19-8-6-7-11-22-19/h6-8,11,16H,9-10,12-15H2,1-5H3.
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 372.51 g/mol, XLogP of 3.16, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 55981169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).