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

C14H22ClN3O2 — CID 125156471

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@@H]1CCCN(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/t11-/m1/s1
InChIKeyBOTMLTDRZXYKJB-LLVKDONJSA-N
MW299.80 g/mol
LogP2.59
Rot. Bonds5

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

(4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone (PubChem CID 125156471) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
PubChem CID125156471
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@@H]1CCCN(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/t11-/m1/s1
InChIKeyBOTMLTDRZXYKJB-LLVKDONJSA-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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Related Compounds

(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 114923201
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 80618499
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103826766
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone (CID 125156471) is (4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone is CCCO[C@@H]1CCCN(C(=O)c2c(Cl)cnn2CC)C1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
The InChIKey is BOTMLTDRZXYKJB-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
(4-chloro-1-ethylpyrazol-5-yl)-[(3R)-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)-[(3R)-3-propoxypiperidin-1-yl]methanone is sourced from PubChem (CID 125156471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).