3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide

C17H27N3O3 — CID 75444639

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C17H27N3O3/c1-12-15(13(2)20-19-12)6-7-16(21)18-10-14-11-22-17(23-14)8-4-3-5-9-17/h14H,3-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUPWFZRRHSDADKU-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.15
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide (PubChem CID 75444639) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide
PubChem CID75444639
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C17H27N3O3/c1-12-15(13(2)20-19-12)6-7-16(21)18-10-14-11-22-17(23-14)8-4-3-5-9-17/h14H,3-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUPWFZRRHSDADKU-UHFFFAOYSA-N
XLogP2.15
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)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-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide (CID 75444639) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide is Cc1n[nH]c(C)c1CCC(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide?
The InChIKey is UPWFZRRHSDADKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-15(13(2)20-19-12)6-7-16(21)18-10-14-11-22-17(23-14)8-4-3-5-9-17/h14H,3-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propanamide is sourced from PubChem (CID 75444639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).