2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid

C14H23N3O2 — CID 25248530

IUPAC2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCCn1nc(C)cc1CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H23N3O2/c1-3-17-13(8-11(2)15-17)10-16-6-4-12(5-7-16)9-14(18)19/h8,12H,3-7,9-10H2,1-2H3,(H,18,19)
InChIKeyUEQKRAJOVKUJHN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.90
Rot. Bonds5

About 2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid

2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid (PubChem CID 25248530) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
PubChem CID25248530
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCCn1nc(C)cc1CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H23N3O2/c1-3-17-13(8-11(2)15-17)10-16-6-4-12(5-7-16)9-14(18)19/h8,12H,3-7,9-10H2,1-2H3,(H,18,19)
InChIKeyUEQKRAJOVKUJHN-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid (CID 25248530) is 2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid is CCn1nc(C)cc1CN1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is UEQKRAJOVKUJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17-13(8-11(2)15-17)10-16-6-4-12(5-7-16)9-14(18)19/h8,12H,3-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 265.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 25248530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).