1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone

C12H18ClN3O2 — CID 114669990

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone
SMILESCCCn1ncc(Cl)c1C(=O)CC1CNCCO1
InChIInChI=1S/C12H18ClN3O2/c1-2-4-16-12(10(13)8-15-16)11(17)6-9-7-14-3-5-18-9/h8-9,14H,2-7H2,1H3
InChIKeyMPKFOLHZAKQDLY-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.51
Rot. Bonds5

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone

1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone (PubChem CID 114669990) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone
PubChem CID114669990
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone
SMILESCCCn1ncc(Cl)c1C(=O)CC1CNCCO1
InChIInChI=1S/C12H18ClN3O2/c1-2-4-16-12(10(13)8-15-16)11(17)6-9-7-14-3-5-18-9/h8-9,14H,2-7H2,1H3
InChIKeyMPKFOLHZAKQDLY-UHFFFAOYSA-N
XLogP1.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone
CID 114669984
2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114669802
2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone
CID 116586145
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(oxan-2-yl)ethanone
CID 114642354
1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanone
CID 114642345
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543836
1-(4-chlorophenyl)-2-morpholin-2-ylethanone
CID 116586223
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677
morpholin-2-yl-(2-propylpyrazol-3-yl)methanone
CID 116561656
(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641477
(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
CID 114642103
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
CID 114668567

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone (CID 114669990) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone is CCCn1ncc(Cl)c1C(=O)CC1CNCCO1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone?
The InChIKey is MPKFOLHZAKQDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-2-4-16-12(10(13)8-15-16)11(17)6-9-7-14-3-5-18-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone?
1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone has a molecular weight of 271.75 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone is sourced from PubChem (CID 114669990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).