1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid

C15H17N3O2 — CID 69133100

IUPAC1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1
InChIInChI=1S/C15H17N3O2/c19-15(20)12-5-7-18(8-6-12)14-3-1-11(2-4-14)13-9-16-17-10-13/h1-4,9-10,12H,5-8H2,(H,16,17)(H,19,20)
InChIKeyPWGKLHDOLAITHK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.38
Rot. Bonds3

About 1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid

1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid (PubChem CID 69133100) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid
PubChem CID69133100
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1
InChIInChI=1S/C15H17N3O2/c19-15(20)12-5-7-18(8-6-12)14-3-1-11(2-4-14)13-9-16-17-10-13/h1-4,9-10,12H,5-8H2,(H,16,17)(H,19,20)
InChIKeyPWGKLHDOLAITHK-UHFFFAOYSA-N
XLogP2.38
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid (CID 69133100) is 1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1.
What is the InChIKey of 1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid?
The InChIKey is PWGKLHDOLAITHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)12-5-7-18(8-6-12)14-3-1-11(2-4-14)13-9-16-17-10-13/h1-4,9-10,12H,5-8H2,(H,16,17)(H,19,20).
What are the key properties of 1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid?
1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 69133100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).