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

C17H29N3O2 — CID 34748961

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C17H29N3O2/c1-12(2)11-20-14(4)16(13(3)19-20)7-8-17(21)18-10-15-6-5-9-22-15/h12,15H,5-11H2,1-4H3,(H,18,21)/t15-/m1/s1
InChIKeyIMKMRSWACUJZDF-OAHLLOKOSA-N
MW307.44 g/mol
LogP2.38
Rot. Bonds7

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

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 34748961) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID34748961
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C17H29N3O2/c1-12(2)11-20-14(4)16(13(3)19-20)7-8-17(21)18-10-15-6-5-9-22-15/h12,15H,5-11H2,1-4H3,(H,18,21)/t15-/m1/s1
InChIKeyIMKMRSWACUJZDF-OAHLLOKOSA-N
XLogP2.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 34748961) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@H]1CCCO1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is IMKMRSWACUJZDF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(2)11-20-14(4)16(13(3)19-20)7-8-17(21)18-10-15-6-5-9-22-15/h12,15H,5-11H2,1-4H3,(H,18,21)/t15-/m1/s1.
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 307.44 g/mol, XLogP of 2.38, 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-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 34748961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).