1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide

C19H22Cl2N4O2 — CID 112830468

IUPAC1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C19H22Cl2N4O2/c1-11-14(10-18(26)24-8-4-3-5-17(24)19(22)27)12(2)25(23-11)16-7-6-13(20)9-15(16)21/h6-7,9,17H,3-5,8,10H2,1-2H3,(H2,22,27)
InChIKeyMWQAVIGMRQJLPD-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.20
Rot. Bonds4

About 1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide

1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide (PubChem CID 112830468) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide
PubChem CID112830468
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC Name1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C19H22Cl2N4O2/c1-11-14(10-18(26)24-8-4-3-5-17(24)19(22)27)12(2)25(23-11)16-7-6-13(20)9-15(16)21/h6-7,9,17H,3-5,8,10H2,1-2H3,(H2,22,27)
InChIKeyMWQAVIGMRQJLPD-UHFFFAOYSA-N
XLogP3.20
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-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-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide (CID 112830468) is 1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide is Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCCCC1C(N)=O.
What is the InChIKey of 1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide?
The InChIKey is MWQAVIGMRQJLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2/c1-11-14(10-18(26)24-8-4-3-5-17(24)19(22)27)12(2)25(23-11)16-7-6-13(20)9-15(16)21/h6-7,9,17H,3-5,8,10H2,1-2H3,(H2,22,27).
What are the key properties of 1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide?
1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide has a molecular weight of 409.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 112830468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).