4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide

C12H17ClN4O3 — CID 110094868

IUPAC4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(C(=O)Cn2cc(Cl)cn2)CCO1
InChIInChI=1S/C12H17ClN4O3/c1-12(11(19)14-2)8-16(3-4-20-12)10(18)7-17-6-9(13)5-15-17/h5-6H,3-4,7-8H2,1-2H3,(H,14,19)
InChIKeyUHPPAHRAYCJOLH-UHFFFAOYSA-N
MW300.75 g/mol
LogP-0.10
Rot. Bonds3

About 4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide

4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 110094868) has the molecular formula C12H17ClN4O3 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
PubChem CID110094868
Molecular FormulaC12H17ClN4O3
Molecular Weight300.75 g/mol
Exact Mass300.10
IUPAC Name4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(C(=O)Cn2cc(Cl)cn2)CCO1
InChIInChI=1S/C12H17ClN4O3/c1-12(11(19)14-2)8-16(3-4-20-12)10(18)7-17-6-9(13)5-15-17/h5-6H,3-4,7-8H2,1-2H3,(H,14,19)
InChIKeyUHPPAHRAYCJOLH-UHFFFAOYSA-N
XLogP-0.10
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 95839493
1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 92632639
(2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide
CID 125001654
(2R)-N,2-dimethyl-4-[2-(4-methylpiperidin-1-yl)acetyl]morpholine-2-carboxamide
CID 124998027
4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid
CID 110106954
(2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124955601
(2S)-N,2-dimethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]morpholine-2-carboxamide
CID 124999466
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815552
9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one
CID 132648851
2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 126825468
(2R)-N,2-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 124976279
2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide
CID 73439576

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of 4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide (CID 110094868) is 4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for 4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide is CNC(=O)C1(C)CN(C(=O)Cn2cc(Cl)cn2)CCO1.
What is the InChIKey of 4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is UHPPAHRAYCJOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3/c1-12(11(19)14-2)8-16(3-4-20-12)10(18)7-17-6-9(13)5-15-17/h5-6H,3-4,7-8H2,1-2H3,(H,14,19).
What are the key properties of 4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 300.75 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 110094868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).