3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide

C18H29N3O3 — CID 90649071

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide
SMILESCC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCc1n[nH]c(C)c1C
InChIInChI=1S/C18H29N3O3/c1-12(2)7-10-24-17-8-9-23-11-16(17)19-18(22)6-5-15-13(3)14(4)20-21-15/h7,16-17H,5-6,8-11H2,1-4H3,(H,19,22)(H,20,21)/t16-,17+/m1/s1
InChIKeyNPEUNJNKQNCWNY-SJORKVTESA-N
MW335.45 g/mol
LogP2.22
Rot. Bonds7

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide (PubChem CID 90649071) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide
PubChem CID90649071
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide
SMILESCC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCc1n[nH]c(C)c1C
InChIInChI=1S/C18H29N3O3/c1-12(2)7-10-24-17-8-9-23-11-16(17)19-18(22)6-5-15-13(3)14(4)20-21-15/h7,16-17H,5-6,8-11H2,1-4H3,(H,19,22)(H,20,21)/t16-,17+/m1/s1
InChIKeyNPEUNJNKQNCWNY-SJORKVTESA-N
XLogP2.22
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]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-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide (CID 90649071) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide is CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCc1n[nH]c(C)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide?
The InChIKey is NPEUNJNKQNCWNY-SJORKVTESA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12(2)7-10-24-17-8-9-23-11-16(17)19-18(22)6-5-15-13(3)14(4)20-21-15/h7,16-17H,5-6,8-11H2,1-4H3,(H,19,22)(H,20,21)/t16-,17+/m1/s1.
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide has a molecular weight of 335.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]propanamide is sourced from PubChem (CID 90649071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).