4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine

C16H28N4 — CID 120899675

IUPAC4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCCn1cc(C2CCN(CC3(C)CCNC3)CC2)cn1
InChIInChI=1S/C16H28N4/c1-3-20-11-15(10-18-20)14-4-8-19(9-5-14)13-16(2)6-7-17-12-16/h10-11,14,17H,3-9,12-13H2,1-2H3
InChIKeyQBXOELCJQMKWOM-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.08
Rot. Bonds4

About 4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine

4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 120899675) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
PubChem CID120899675
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCCn1cc(C2CCN(CC3(C)CCNC3)CC2)cn1
InChIInChI=1S/C16H28N4/c1-3-20-11-15(10-18-20)14-4-8-19(9-5-14)13-16(2)6-7-17-12-16/h10-11,14,17H,3-9,12-13H2,1-2H3
InChIKeyQBXOELCJQMKWOM-UHFFFAOYSA-N
XLogP2.08
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (CID 120899675) is 4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is CCn1cc(C2CCN(CC3(C)CCNC3)CC2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is QBXOELCJQMKWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-20-11-15(10-18-20)14-4-8-19(9-5-14)13-16(2)6-7-17-12-16/h10-11,14,17H,3-9,12-13H2,1-2H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 276.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 120899675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).