5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine

C13H23N3O — CID 114662369

IUPAC5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine
SMILESCCn1ncc(OC)c1CC1CCC(C)NC1
InChIInChI=1S/C13H23N3O/c1-4-16-12(13(17-3)9-15-16)7-11-6-5-10(2)14-8-11/h9-11,14H,4-8H2,1-3H3
InChIKeyVBNMPSZXFNTZQF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.84
Rot. Bonds4

About 5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine

5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine (PubChem CID 114662369) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine
PubChem CID114662369
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine
SMILESCCn1ncc(OC)c1CC1CCC(C)NC1
InChIInChI=1S/C13H23N3O/c1-4-16-12(13(17-3)9-15-16)7-11-6-5-10(2)14-8-11/h9-11,14H,4-8H2,1-3H3
InChIKeyVBNMPSZXFNTZQF-UHFFFAOYSA-N
XLogP1.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine
CID 106780163
5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine
CID 114662360
2-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114662423
1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 114663585
6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379441
2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 104823542
5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole
CID 114665648
2-[(6-methylpiperidin-3-yl)methyl]pyrazine
CID 104823559
(5R)-5-ethyl-2-methylpiperidine
CID 89383563
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine
CID 114666458
(2S,5R)-5-benzyl-2-methylpiperidine
CID 130765176
N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine
CID 114652111

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine?
The IUPAC name of 5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine (CID 114662369) is 5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine.
What is the SMILES notation for 5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine?
The canonical SMILES for 5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine is CCn1ncc(OC)c1CC1CCC(C)NC1.
What is the InChIKey of 5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine?
The InChIKey is VBNMPSZXFNTZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-16-12(13(17-3)9-15-16)7-11-6-5-10(2)14-8-11/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine?
5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine has a molecular weight of 237.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine is sourced from PubChem (CID 114662369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).