4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid

C12H15N3O3 — CID 139535625

IUPAC4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid
SMILESC=CC(=O)c1cnn(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C12H15N3O3/c1-2-11(16)9-7-13-15(8-9)10-3-5-14(6-4-10)12(17)18/h2,7-8,10H,1,3-6H2,(H,17,18)
InChIKeyQZJOKCGLAGDAHQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.57
Rot. Bonds3

About 4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid

4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 139535625) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid
PubChem CID139535625
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid
SMILESC=CC(=O)c1cnn(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C12H15N3O3/c1-2-11(16)9-7-13-15(8-9)10-3-5-14(6-4-10)12(17)18/h2,7-8,10H,1,3-6H2,(H,17,18)
InChIKeyQZJOKCGLAGDAHQ-UHFFFAOYSA-N
XLogP1.57
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-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

Related Compounds

CID 28742894
CID 28742894
CID 57039395
CID 57039395
CID 66686407
CID 66686407
CID 89844359
CID 89844359
CID 89844365
CID 89844365
CID 135349042
CID 135349042
CID 139535688
CID 139535688
CID 139536180
CID 139536180
CID 139536181
CID 139536181
CID 140660520
CID 140660520
CID 151872391
CID 151872391
CID 155207963
CID 155207963

Frequently Asked Questions

What is the IUPAC name of 4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid (CID 139535625) is 4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid is C=CC(=O)c1cnn(C2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is QZJOKCGLAGDAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-2-11(16)9-7-13-15(8-9)10-3-5-14(6-4-10)12(17)18/h2,7-8,10H,1,3-6H2,(H,17,18).
What are the key properties of 4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid?
4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 139535625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).