1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid

C16H17N3O3 — CID 119175836

IUPAC1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H17N3O3/c20-15(18-10-5-4-8-14(18)16(21)22)13-9-11-19(17-13)12-6-2-1-3-7-12/h1-3,6-7,9,11,14H,4-5,8,10H2,(H,21,22)
InChIKeyWRIJKKBILFBPQY-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.95
Rot. Bonds3

About 1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid

1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 119175836) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID119175836
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H17N3O3/c20-15(18-10-5-4-8-14(18)16(21)22)13-9-11-19(17-13)12-6-2-1-3-7-12/h1-3,6-7,9,11,14H,4-5,8,10H2,(H,21,22)
InChIKeyWRIJKKBILFBPQY-UHFFFAOYSA-N
XLogP1.95
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119634575
(2S)-1-(1-phenyltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136582
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95333903
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
1-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperidine-2-carboxylic acid
CID 119175959
(2S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperidine-2-carboxylic acid
CID 124577082
(2S)-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365692
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid (CID 119175836) is 1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is WRIJKKBILFBPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(18-10-5-4-8-14(18)16(21)22)13-9-11-19(17-13)12-6-2-1-3-7-12/h1-3,6-7,9,11,14H,4-5,8,10H2,(H,21,22).
What are the key properties of 1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid?
1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 119175836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).