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

C19H34N4O — CID 36813556

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide
SMILESCCN1CCC(NC(=O)CCc2c(C)nn(CC(C)C)c2C)CC1
InChIInChI=1S/C19H34N4O/c1-6-22-11-9-17(10-12-22)20-19(24)8-7-18-15(4)21-23(16(18)5)13-14(2)3/h14,17H,6-13H2,1-5H3,(H,20,24)
InChIKeyXVYLKQAOYUFSJK-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.69
Rot. Bonds7

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

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide (PubChem CID 36813556) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide
PubChem CID36813556
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide
SMILESCCN1CCC(NC(=O)CCc2c(C)nn(CC(C)C)c2C)CC1
InChIInChI=1S/C19H34N4O/c1-6-22-11-9-17(10-12-22)20-19(24)8-7-18-15(4)21-23(16(18)5)13-14(2)3/h14,17H,6-13H2,1-5H3,(H,20,24)
InChIKeyXVYLKQAOYUFSJK-UHFFFAOYSA-N
XLogP2.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide (CID 36813556) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide is CCN1CCC(NC(=O)CCc2c(C)nn(CC(C)C)c2C)CC1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide?
The InChIKey is XVYLKQAOYUFSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-6-22-11-9-17(10-12-22)20-19(24)8-7-18-15(4)21-23(16(18)5)13-14(2)3/h14,17H,6-13H2,1-5H3,(H,20,24).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide has a molecular weight of 334.51 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 36813556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).