4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid

C11H17N3O4 — CID 117233224

IUPAC4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
SMILESCOc1cnn(CCN2CCOCC2)c1C(=O)O
InChIInChI=1S/C11H17N3O4/c1-17-9-8-12-14(10(9)11(15)16)3-2-13-4-6-18-7-5-13/h8H,2-7H2,1H3,(H,15,16)
InChIKeyWECIWUNULQLYHT-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.08
Rot. Bonds5

About 4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid

4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid (PubChem CID 117233224) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
PubChem CID117233224
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
SMILESCOc1cnn(CCN2CCOCC2)c1C(=O)O
InChIInChI=1S/C11H17N3O4/c1-17-9-8-12-14(10(9)11(15)16)3-2-13-4-6-18-7-5-13/h8H,2-7H2,1H3,(H,15,16)
InChIKeyWECIWUNULQLYHT-UHFFFAOYSA-N
XLogP-0.08
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethyl]morpholine
CID 117233214
1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 114641103
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
(4-methoxy-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641469
5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid
CID 18765419
1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid
CID 117216599
(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829733
4-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxylic acid
CID 117232726
5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol
CID 117233213
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone
CID 114640631
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone
CID 114642300
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810342

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid (CID 117233224) is 4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid is COc1cnn(CCN2CCOCC2)c1C(=O)O.
What is the InChIKey of 4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid?
The InChIKey is WECIWUNULQLYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-17-9-8-12-14(10(9)11(15)16)3-2-13-4-6-18-7-5-13/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid?
4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117233224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).