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

C10H14ClN3O2 — CID 114669984

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone
SMILESCn1ncc(Cl)c1C(=O)CC1CNCCO1
InChIInChI=1S/C10H14ClN3O2/c1-14-10(8(11)6-13-14)9(15)4-7-5-12-2-3-16-7/h6-7,12H,2-5H2,1H3
InChIKeyHOQIICSLUONYPX-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.63
Rot. Bonds3

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

1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone (PubChem CID 114669984) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone
PubChem CID114669984
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone
SMILESCn1ncc(Cl)c1C(=O)CC1CNCCO1
InChIInChI=1S/C10H14ClN3O2/c1-14-10(8(11)6-13-14)9(15)4-7-5-12-2-3-16-7/h6-7,12H,2-5H2,1H3
InChIKeyHOQIICSLUONYPX-UHFFFAOYSA-N
XLogP0.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone
CID 114669990
2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone
CID 116586145
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-2-ylacetamide
CID 106047283
4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide
CID 106315413
1-(4-chlorophenyl)-2-morpholin-2-ylethanone
CID 116586223
1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone
CID 105396502
1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-2-ylethanone
CID 116586378
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(oxan-2-yl)ethanone
CID 114642354
1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one
CID 116586283
N-(3,4-dichlorophenyl)-2-morpholin-2-ylacetamide
CID 66435697
1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
CID 116586355
1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone
CID 116586217

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone (CID 114669984) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone is Cn1ncc(Cl)c1C(=O)CC1CNCCO1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone?
The InChIKey is HOQIICSLUONYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-14-10(8(11)6-13-14)9(15)4-7-5-12-2-3-16-7/h6-7,12H,2-5H2,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone?
1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone has a molecular weight of 243.69 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone is sourced from PubChem (CID 114669984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).