N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide

C20H26ClFN4O — CID 25107291

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
SMILESCc1nn(C2CCN(C)CC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H26ClFN4O/c1-13-18(14(2)26(24-13)17-6-8-25(3)9-7-17)11-20(27)23-12-15-4-5-16(22)10-19(15)21/h4-5,10,17H,6-9,11-12H2,1-3H3,(H,23,27)
InChIKeyCZUKHOFDTODWQY-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.42
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide (PubChem CID 25107291) has the molecular formula C20H26ClFN4O and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
PubChem CID25107291
Molecular FormulaC20H26ClFN4O
Molecular Weight392.91 g/mol
Exact Mass392.18
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
SMILESCc1nn(C2CCN(C)CC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H26ClFN4O/c1-13-18(14(2)26(24-13)17-6-8-25(3)9-7-17)11-20(27)23-12-15-4-5-16(22)10-19(15)21/h4-5,10,17H,6-9,11-12H2,1-3H3,(H,23,27)
InChIKeyCZUKHOFDTODWQY-UHFFFAOYSA-N
XLogP3.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide (CID 25107291) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide is Cc1nn(C2CCN(C)CC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
The InChIKey is CZUKHOFDTODWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClFN4O/c1-13-18(14(2)26(24-13)17-6-8-25(3)9-7-17)11-20(27)23-12-15-4-5-16(22)10-19(15)21/h4-5,10,17H,6-9,11-12H2,1-3H3,(H,23,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide has a molecular weight of 392.91 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 25107291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).