4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid

C16H19N3O2 — CID 79422857

IUPAC4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2cnn(-c3ccccc3)c2)CCNCC1
InChIInChI=1S/C16H19N3O2/c20-15(21)16(6-8-17-9-7-16)10-13-11-18-19(12-13)14-4-2-1-3-5-14/h1-5,11-12,17H,6-10H2,(H,20,21)
InChIKeyLBICTQPPDRMLBC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.87
Rot. Bonds4

About 4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid

4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 79422857) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
PubChem CID79422857
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2cnn(-c3ccccc3)c2)CCNCC1
InChIInChI=1S/C16H19N3O2/c20-15(21)16(6-8-17-9-7-16)10-13-11-18-19(12-13)14-4-2-1-3-5-14/h1-5,11-12,17H,6-10H2,(H,20,21)
InChIKeyLBICTQPPDRMLBC-UHFFFAOYSA-N
XLogP1.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzylpiperidine-4-carboxylic acid
CID 18365178
2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone
CID 119400257
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79425515
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441
1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119699538
1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56902810
1-benzylcyclopropane-1-carboxylic acid
CID 562561
1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932266
2-[1-[3-(1-phenylpyrazol-4-yl)propanoylamino]cyclobutyl]acetic acid
CID 119218093
4-methoxy-N-(1-phenylpyrazol-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119753029
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 119635103

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid (CID 79422857) is 4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1(Cc2cnn(-c3ccccc3)c2)CCNCC1.
What is the InChIKey of 4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is LBICTQPPDRMLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(21)16(6-8-17-9-7-16)10-13-11-18-19(12-13)14-4-2-1-3-5-14/h1-5,11-12,17H,6-10H2,(H,20,21).
What are the key properties of 4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 79422857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).