methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate

C11H15N3O4 — CID 171315068

IUPACmethyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C11H15N3O4/c1-17-11(16)9-6-12-14(7-9)8-10(15)13-2-4-18-5-3-13/h6-7H,2-5,8H2,1H3
InChIKeyMNSYKMSFZSXDED-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.47
Rot. Bonds3

About methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate

methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate (PubChem CID 171315068) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate
PubChem CID171315068
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C11H15N3O4/c1-17-11(16)9-6-12-14(7-9)8-10(15)13-2-4-18-5-3-13/h6-7H,2-5,8H2,1H3
InChIKeyMNSYKMSFZSXDED-UHFFFAOYSA-N
XLogP-0.47
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
CID 19622291
2-(4-methylpyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 146126134
methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108943555
methyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]pyrimidine-5-carboxylate
CID 167790006
1-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 119333469
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride
CID 120635586
3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride
CID 119951973
methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate
CID 112530564
1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone
CID 99633730
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849
methyl 4-(morpholine-4-carbothioyl)benzoate
CID 974575

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate (CID 171315068) is methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate is COC(=O)c1cnn(CC(=O)N2CCOCC2)c1.
What is the InChIKey of methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate?
The InChIKey is MNSYKMSFZSXDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-11(16)9-6-12-14(7-9)8-10(15)13-2-4-18-5-3-13/h6-7H,2-5,8H2,1H3.
What are the key properties of methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate?
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate has a molecular weight of 253.26 g/mol, XLogP of -0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 171315068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).