1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide

C15H21ClN4O2 — CID 97449821

IUPAC1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)/C=C\c2c(C)nn(C)c2Cl)CC1
InChIInChI=1S/C15H21ClN4O2/c1-10-12(14(16)19(3)18-10)4-5-13(21)20-8-6-11(7-9-20)15(22)17-2/h4-5,11H,6-9H2,1-3H3,(H,17,22)/b5-4-
InChIKeyCNKYRHVDXUJAHP-PLNGDYQASA-N
MW324.81 g/mol
LogP1.38
Rot. Bonds3

About 1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide

1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 97449821) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide
PubChem CID97449821
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)/C=C\c2c(C)nn(C)c2Cl)CC1
InChIInChI=1S/C15H21ClN4O2/c1-10-12(14(16)19(3)18-10)4-5-13(21)20-8-6-11(7-9-20)15(22)17-2/h4-5,11H,6-9H2,1-3H3,(H,17,22)/b5-4-
InChIKeyCNKYRHVDXUJAHP-PLNGDYQASA-N
XLogP1.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide 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 1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide (CID 97449821) is 1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)/C=C\c2c(C)nn(C)c2Cl)CC1.
What is the InChIKey of 1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is CNKYRHVDXUJAHP-PLNGDYQASA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-10-12(14(16)19(3)18-10)4-5-13(21)20-8-6-11(7-9-20)15(22)17-2/h4-5,11H,6-9H2,1-3H3,(H,17,22)/b5-4-.
What are the key properties of 1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide?
1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 97449821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).