3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid

C15H25N3O2 — CID 64772222

IUPAC3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid
SMILESCC(C)n1ccc(CN2CCCCC2CCC(=O)O)n1
InChIInChI=1S/C15H25N3O2/c1-12(2)18-10-8-13(16-18)11-17-9-4-3-5-14(17)6-7-15(19)20/h8,10,12,14H,3-7,9,11H2,1-2H3,(H,19,20)
InChIKeyFZPZYRRABNDJHM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.68
Rot. Bonds6

About 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid

3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid (PubChem CID 64772222) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid
PubChem CID64772222
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid
SMILESCC(C)n1ccc(CN2CCCCC2CCC(=O)O)n1
InChIInChI=1S/C15H25N3O2/c1-12(2)18-10-8-13(16-18)11-17-9-4-3-5-14(17)6-7-15(19)20/h8,10,12,14H,3-7,9,11H2,1-2H3,(H,19,20)
InChIKeyFZPZYRRABNDJHM-UHFFFAOYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid
CID 64771683
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine
CID 64799407
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid
CID 64772396
3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216318
3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
CID 65062535
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]azepane-2-carboxylic acid
CID 64784233
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216991
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 106818951
2-(chloromethyl)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]azepane
CID 116638656
3-[1-(3-methylbut-2-enyl)piperidin-2-yl]propanoic acid
CID 62218206

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid (CID 64772222) is 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid is CC(C)n1ccc(CN2CCCCC2CCC(=O)O)n1.
What is the InChIKey of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid?
The InChIKey is FZPZYRRABNDJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)18-10-8-13(16-18)11-17-9-4-3-5-14(17)6-7-15(19)20/h8,10,12,14H,3-7,9,11H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid?
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 64772222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).