2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one

C15H24ClN3O — CID 155710786

IUPAC2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCc1cnn(C2(C)CCN(C(=O)C(C)(C)Cl)CC2)c1
InChIInChI=1S/C15H24ClN3O/c1-5-12-10-17-19(11-12)15(4)6-8-18(9-7-15)13(20)14(2,3)16/h10-11H,5-9H2,1-4H3
InChIKeyNOJXNLLKEGVCFR-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.80
Rot. Bonds3

About 2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one

2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 155710786) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID155710786
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCc1cnn(C2(C)CCN(C(=O)C(C)(C)Cl)CC2)c1
InChIInChI=1S/C15H24ClN3O/c1-5-12-10-17-19(11-12)15(4)6-8-18(9-7-15)13(20)14(2,3)16/h10-11H,5-9H2,1-4H3
InChIKeyNOJXNLLKEGVCFR-UHFFFAOYSA-N
XLogP2.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one (CID 155710786) is 2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one is CCc1cnn(C2(C)CCN(C(=O)C(C)(C)Cl)CC2)c1.
What is the InChIKey of 2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is NOJXNLLKEGVCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-5-12-10-17-19(11-12)15(4)6-8-18(9-7-15)13(20)14(2,3)16/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 297.83 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 155710786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).