N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide

C19H23ClFN3O — CID 25107112

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C2CCCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C19H23ClFN3O/c1-12-17(13(2)24(23-12)16-5-3-4-6-16)10-19(25)22-11-14-7-8-15(21)9-18(14)20/h7-9,16H,3-6,10-11H2,1-2H3,(H,22,25)
InChIKeySJZGKSPSPQDYKC-UHFFFAOYSA-N
MW363.86 g/mol
LogP4.27
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 25107112) has the molecular formula C19H23ClFN3O and a molecular weight of 363.86 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide
PubChem CID25107112
Molecular FormulaC19H23ClFN3O
Molecular Weight363.86 g/mol
Exact Mass363.15
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C2CCCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C19H23ClFN3O/c1-12-17(13(2)24(23-12)16-5-3-4-6-16)10-19(25)22-11-14-7-8-15(21)9-18(14)20/h7-9,16H,3-6,10-11H2,1-2H3,(H,22,25)
InChIKeySJZGKSPSPQDYKC-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide (CID 25107112) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide is Cc1nn(C2CCCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is SJZGKSPSPQDYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN3O/c1-12-17(13(2)24(23-12)16-5-3-4-6-16)10-19(25)22-11-14-7-8-15(21)9-18(14)20/h7-9,16H,3-6,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 363.86 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 25107112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).