3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid

C17H19N3O3 — CID 154846754

IUPAC3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid
SMILESCC1CN(C(=O)c2cc(C(=O)O)[nH]n2)CCC1c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-11-10-20(8-7-13(11)12-5-3-2-4-6-12)16(21)14-9-15(17(22)23)19-18-14/h2-6,9,11,13H,7-8,10H2,1H3,(H,18,19)(H,22,23)
InChIKeyJPYHSBGZUKADAF-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.37
Rot. Bonds3

About 3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid

3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 154846754) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid
PubChem CID154846754
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid
SMILESCC1CN(C(=O)c2cc(C(=O)O)[nH]n2)CCC1c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-11-10-20(8-7-13(11)12-5-3-2-4-6-12)16(21)14-9-15(17(22)23)19-18-14/h2-6,9,11,13H,7-8,10H2,1H3,(H,18,19)(H,22,23)
InChIKeyJPYHSBGZUKADAF-UHFFFAOYSA-N
XLogP2.37
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid (CID 154846754) is 3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid is CC1CN(C(=O)c2cc(C(=O)O)[nH]n2)CCC1c1ccccc1.
What is the InChIKey of 3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is JPYHSBGZUKADAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-10-20(8-7-13(11)12-5-3-2-4-6-12)16(21)14-9-15(17(22)23)19-18-14/h2-6,9,11,13H,7-8,10H2,1H3,(H,18,19)(H,22,23).
What are the key properties of 3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid?
3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 154846754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).