5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid

C11H17N3O4 — CID 18765419

IUPAC5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid
SMILESCOc1cc(C(=O)O)nn1CCN1CCOCC1
InChIInChI=1S/C11H17N3O4/c1-17-10-8-9(11(15)16)12-14(10)3-2-13-4-6-18-7-5-13/h8H,2-7H2,1H3,(H,15,16)
InChIKeyYVXZFAGDOIXMPH-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.08
Rot. Bonds5

About 5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid

5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid (PubChem CID 18765419) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid
PubChem CID18765419
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid
SMILESCOc1cc(C(=O)O)nn1CCN1CCOCC1
InChIInChI=1S/C11H17N3O4/c1-17-10-8-9(11(15)16)12-14(10)3-2-13-4-6-18-7-5-13/h8H,2-7H2,1H3,(H,15,16)
InChIKeyYVXZFAGDOIXMPH-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-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
CID 117233224
5-methoxy-1-propan-2-ylpyrazole-3-carboxylic acid
CID 83864411
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
5-chloro-2-methoxy-3-(2-morpholin-4-ylethyl)benzoic acid;ethane
CID 171074585
methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105920
4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one
CID 115773650
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
CID 117447646
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethyl]morpholine
CID 117233214
1-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxopyridazine-3-carboxylic acid
CID 114695976
2-(2-morpholin-4-ylethyl)-3-propan-2-ylbut-2-enedioic acid
CID 154077862

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid (CID 18765419) is 5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid is COc1cc(C(=O)O)nn1CCN1CCOCC1.
What is the InChIKey of 5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid?
The InChIKey is YVXZFAGDOIXMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-17-10-8-9(11(15)16)12-14(10)3-2-13-4-6-18-7-5-13/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid?
5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-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 5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 18765419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).