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'}

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Related Compounds

1-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-methylpiperidine-4-carboxamide
CID 53499657
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)prop-2-en-1-one
CID 103900590
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 76941770
1-[2-(aminomethyl)piperidin-1-yl]-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 126790036
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 26083393
8-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166224647
1-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-4-phenylpiperidine-4-carboxylic acid
CID 124697170
(E)-1-piperidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 31462086
methyl 1-[3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylate
CID 78779888
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 30128911
N-benzyl-2-[4-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 30458912
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 76943940

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).