(4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone

C14H22ClN3O2 — CID 118771377

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2c(Cl)cnn2CC)C1
InChIInChI=1S/C14H22ClN3O2/c1-3-8-20-11-6-5-7-17(10-11)14(19)13-12(15)9-16-18(13)4-2/h9,11H,3-8,10H2,1-2H3
InChIKeyBOTMLTDRZXYKJB-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.59
Rot. Bonds5

About (4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 118771377) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID118771377
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2c(Cl)cnn2CC)C1
InChIInChI=1S/C14H22ClN3O2/c1-3-8-20-11-6-5-7-17(10-11)14(19)13-12(15)9-16-18(13)4-2/h9,11H,3-8,10H2,1-2H3
InChIKeyBOTMLTDRZXYKJB-UHFFFAOYSA-N
XLogP2.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone (CID 118771377) is (4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2c(Cl)cnn2CC)C1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is BOTMLTDRZXYKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-3-8-20-11-6-5-7-17(10-11)14(19)13-12(15)9-16-18(13)4-2/h9,11H,3-8,10H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 299.80 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 118771377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).