(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone

C12H18ClN3O2 — CID 70772303

IUPAC(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone
SMILESCC[C@H]1COCCN1C(=O)c1nn(C)c(C)c1Cl
InChIInChI=1S/C12H18ClN3O2/c1-4-9-7-18-6-5-16(9)12(17)11-10(13)8(2)15(3)14-11/h9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyWTZSBGTUPKAOTP-VIFPVBQESA-N
MW271.75 g/mol
LogP1.63
Rot. Bonds2

About (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone

(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone (PubChem CID 70772303) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone
PubChem CID70772303
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone
SMILESCC[C@H]1COCCN1C(=O)c1nn(C)c(C)c1Cl
InChIInChI=1S/C12H18ClN3O2/c1-4-9-7-18-6-5-16(9)12(17)11-10(13)8(2)15(3)14-11/h9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyWTZSBGTUPKAOTP-VIFPVBQESA-N
XLogP1.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone (CID 70772303) is (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone is CC[C@H]1COCCN1C(=O)c1nn(C)c(C)c1Cl.
What is the InChIKey of (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone?
The InChIKey is WTZSBGTUPKAOTP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-9-7-18-6-5-16(9)12(17)11-10(13)8(2)15(3)14-11/h9H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone?
(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone has a molecular weight of 271.75 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone is sourced from PubChem (CID 70772303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).