4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine

C17H30N4 — CID 91921270

IUPAC4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine
SMILESCCn1ncc(CN2CCC(C3CCN(C)CC3)C2)c1C
InChIInChI=1S/C17H30N4/c1-4-21-14(2)17(11-18-21)13-20-10-7-16(12-20)15-5-8-19(3)9-6-15/h11,15-16H,4-10,12-13H2,1-3H3
InChIKeySLHBOWJENUTBKA-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.38
Rot. Bonds4

About 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine

4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine (PubChem CID 91921270) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine
PubChem CID91921270
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine
SMILESCCn1ncc(CN2CCC(C3CCN(C)CC3)C2)c1C
InChIInChI=1S/C17H30N4/c1-4-21-14(2)17(11-18-21)13-20-10-7-16(12-20)15-5-8-19(3)9-6-15/h11,15-16H,4-10,12-13H2,1-3H3
InChIKeySLHBOWJENUTBKA-UHFFFAOYSA-N
XLogP2.38
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine 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 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine?
The IUPAC name of 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine (CID 91921270) is 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine?
The canonical SMILES for 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine is CCn1ncc(CN2CCC(C3CCN(C)CC3)C2)c1C.
What is the InChIKey of 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine?
The InChIKey is SLHBOWJENUTBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-21-14(2)17(11-18-21)13-20-10-7-16(12-20)15-5-8-19(3)9-6-15/h11,15-16H,4-10,12-13H2,1-3H3.
What are the key properties of 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine?
4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine has a molecular weight of 290.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine is sourced from PubChem (CID 91921270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).