(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid

C12H17N3O3 — CID 28789916

IUPAC(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)CCn1cccn1
InChIInChI=1S/C12H17N3O3/c16-11(5-9-14-7-3-6-13-14)15-8-2-1-4-10(15)12(17)18/h3,6-7,10H,1-2,4-5,8-9H2,(H,17,18)/t10-/m0/s1
InChIKeyPMFLGQBKRFJOHT-JTQLQIEISA-N
MW251.29 g/mol
LogP0.74
Rot. Bonds4

About (2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid

(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid (PubChem CID 28789916) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid
PubChem CID28789916
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)CCn1cccn1
InChIInChI=1S/C12H17N3O3/c16-11(5-9-14-7-3-6-13-14)15-8-2-1-4-10(15)12(17)18/h3,6-7,10H,1-2,4-5,8-9H2,(H,17,18)/t10-/m0/s1
InChIKeyPMFLGQBKRFJOHT-JTQLQIEISA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119355394
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid
CID 61494666
1-[(3R,3aS,9aR)-1-acetyl-3-phenyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92550027
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 79024004
1-[(3R,3aS,9aR)-4-acetyl-3-phenyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 92549296
1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61460902
3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
CID 62274909
1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 124621608

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid (CID 28789916) is (2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)CCn1cccn1.
What is the InChIKey of (2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid?
The InChIKey is PMFLGQBKRFJOHT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11(5-9-14-7-3-6-13-14)15-8-2-1-4-10(15)12(17)18/h3,6-7,10H,1-2,4-5,8-9H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid?
(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 28789916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).