(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone

C12H18ClN3O2 — CID 114641456

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
SMILESCCN1CCOC(C(=O)c2c(Cl)cnn2CC)C1
InChIInChI=1S/C12H18ClN3O2/c1-3-15-5-6-18-10(8-15)12(17)11-9(13)7-14-16(11)4-2/h7,10H,3-6,8H2,1-2H3
InChIKeyVBRYARIPYULKKR-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.46
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone (PubChem CID 114641456) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
PubChem CID114641456
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
SMILESCCN1CCOC(C(=O)c2c(Cl)cnn2CC)C1
InChIInChI=1S/C12H18ClN3O2/c1-3-15-5-6-18-10(8-15)12(17)11-9(13)7-14-16(11)4-2/h7,10H,3-6,8H2,1-2H3
InChIKeyVBRYARIPYULKKR-UHFFFAOYSA-N
XLogP1.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641477
(4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
CID 114641459
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone
CID 114641317
(4-methoxy-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641469
(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79667186
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640787
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114657772
(4-amino-3-pyridinyl)-(4-ethylmorpholin-2-yl)methanone
CID 79666844
4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 114386480
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95196647
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone
CID 114641476
1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 79666582

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone (CID 114641456) is (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone is CCN1CCOC(C(=O)c2c(Cl)cnn2CC)C1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone?
The InChIKey is VBRYARIPYULKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-3-15-5-6-18-10(8-15)12(17)11-9(13)7-14-16(11)4-2/h7,10H,3-6,8H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone has a molecular weight of 271.75 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone is sourced from PubChem (CID 114641456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).