4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid

C11H17N3O3 — CID 177335577

IUPAC4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)n[nH]c1CN1CCOCC1
InChIInChI=1S/C11H17N3O3/c1-2-8-9(12-13-10(8)11(15)16)7-14-3-5-17-6-4-14/h2-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyDCDVBGLXIILJKI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.50
Rot. Bonds4

About 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid

4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid (PubChem CID 177335577) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid
PubChem CID177335577
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)n[nH]c1CN1CCOCC1
InChIInChI=1S/C11H17N3O3/c1-2-8-9(12-13-10(8)11(15)16)7-14-3-5-17-6-4-14/h2-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyDCDVBGLXIILJKI-UHFFFAOYSA-N
XLogP0.50
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid (CID 177335577) is 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid is CCc1c(C(=O)O)n[nH]c1CN1CCOCC1.
What is the InChIKey of 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is DCDVBGLXIILJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-8-9(12-13-10(8)11(15)16)7-14-3-5-17-6-4-14/h2-7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid?
4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 177335577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).