2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid

C15H25N3O3 — CID 64534338

IUPAC2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid
SMILESCc1nn(CC2CN(C(C)C)CCO2)c(C)c1CC(=O)O
InChIInChI=1S/C15H25N3O3/c1-10(2)17-5-6-21-13(8-17)9-18-12(4)14(7-15(19)20)11(3)16-18/h10,13H,5-9H2,1-4H3,(H,19,20)
InChIKeyGFXRGQGZMRMUES-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.24
Rot. Bonds5

About 2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid

2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid (PubChem CID 64534338) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid
PubChem CID64534338
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid
SMILESCc1nn(CC2CN(C(C)C)CCO2)c(C)c1CC(=O)O
InChIInChI=1S/C15H25N3O3/c1-10(2)17-5-6-21-13(8-17)9-18-12(4)14(7-15(19)20)11(3)16-18/h10,13H,5-9H2,1-4H3,(H,19,20)
InChIKeyGFXRGQGZMRMUES-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid (CID 64534338) is 2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid is Cc1nn(CC2CN(C(C)C)CCO2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid?
The InChIKey is GFXRGQGZMRMUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)17-5-6-21-13(8-17)9-18-12(4)14(7-15(19)20)11(3)16-18/h10,13H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid?
2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 64534338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).