(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

C12H19N3O2 — CID 28843938

IUPAC(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCn1cc(CN2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C12H19N3O2/c1-2-15-8-10(6-13-15)7-14-5-3-4-11(9-14)12(16)17/h6,8,11H,2-5,7,9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyYRONNFYNSHLTMQ-NSHDSACASA-N
MW237.30 g/mol
LogP1.20
Rot. Bonds4

About (3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 28843938) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
PubChem CID28843938
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCn1cc(CN2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C12H19N3O2/c1-2-15-8-10(6-13-15)7-14-5-3-4-11(9-14)12(16)17/h6,8,11H,2-5,7,9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyYRONNFYNSHLTMQ-NSHDSACASA-N
XLogP1.20
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (CID 28843938) is (3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is CCn1cc(CN2CCC[C@H](C(=O)O)C2)cn1.
What is the InChIKey of (3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is YRONNFYNSHLTMQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-15-8-10(6-13-15)7-14-5-3-4-11(9-14)12(16)17/h6,8,11H,2-5,7,9H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 28843938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).