1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid

C10H13N3O4 — CID 19622291

IUPAC1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C10H13N3O4/c14-9(12-1-3-17-4-2-12)7-13-6-8(5-11-13)10(15)16/h5-6H,1-4,7H2,(H,15,16)
InChIKeyLUVHPHYZWOYVLT-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.56
Rot. Bonds3

About 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid

1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid (PubChem CID 19622291) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
PubChem CID19622291
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C10H13N3O4/c14-9(12-1-3-17-4-2-12)7-13-6-8(5-11-13)10(15)16/h5-6H,1-4,7H2,(H,15,16)
InChIKeyLUVHPHYZWOYVLT-UHFFFAOYSA-N
XLogP-0.56
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate
CID 171315068
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 21070969
1-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 170994978
1-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 119333469
2-(4-methylpyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 146126134
3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride
CID 119951973
1-(3,3-dimethyl-2-oxobutyl)pyrazole-4-carboxylic acid
CID 121200111
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622537
2-[4-(2-hydroxyethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 62399432
5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride
CID 120635586
1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 92632639
1-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671528

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid (CID 19622291) is 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(CC(=O)N2CCOCC2)c1.
What is the InChIKey of 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid?
The InChIKey is LUVHPHYZWOYVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-9(12-1-3-17-4-2-12)7-13-6-8(5-11-13)10(15)16/h5-6H,1-4,7H2,(H,15,16).
What are the key properties of 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid?
1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 19622291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).