2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide

C18H22Cl2N4O — CID 119390343

IUPAC2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC1CCNCC1
InChIInChI=1S/C18H22Cl2N4O/c1-11-15(10-18(25)22-14-5-7-21-8-6-14)12(2)24(23-11)17-4-3-13(19)9-16(17)20/h3-4,9,14,21H,5-8,10H2,1-2H3,(H,22,25)
InChIKeyQTPNOYIYCOZLEH-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.21
Rot. Bonds4

About 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide (PubChem CID 119390343) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide
PubChem CID119390343
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC1CCNCC1
InChIInChI=1S/C18H22Cl2N4O/c1-11-15(10-18(25)22-14-5-7-21-8-6-14)12(2)24(23-11)17-4-3-13(19)9-16(17)20/h3-4,9,14,21H,5-8,10H2,1-2H3,(H,22,25)
InChIKeyQTPNOYIYCOZLEH-UHFFFAOYSA-N
XLogP3.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide (CID 119390343) is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide is Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC1CCNCC1.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide?
The InChIKey is QTPNOYIYCOZLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-11-15(10-18(25)22-14-5-7-21-8-6-14)12(2)24(23-11)17-4-3-13(19)9-16(17)20/h3-4,9,14,21H,5-8,10H2,1-2H3,(H,22,25).
What are the key properties of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide?
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide has a molecular weight of 381.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119390343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).