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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Related Compounds

2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 79172170
2-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]acetic acid
CID 62386249
3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 79171673
2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64534558
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64532739
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid
CID 102604816
2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
CID 131900926
(2R)-4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153148
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79104478
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-3-amine
CID 64535535
4-ethyl-3,5-dimethyl-1-(oxiran-2-ylmethyl)pyrazole
CID 61236679
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784350

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).