2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide

C20H17ClFN3O2 — CID 42687670

IUPAC2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1c(-c2ccc(F)cc2)n[nH]c1C1CC1
InChIInChI=1S/C20H17ClFN3O2/c21-14-5-9-16(10-6-14)27-11-17(26)23-20-18(12-1-2-12)24-25-19(20)13-3-7-15(22)8-4-13/h3-10,12H,1-2,11H2,(H,23,26)(H,24,25)
InChIKeySJCUHXZIYMBNJQ-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.76
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide

2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 42687670) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide
PubChem CID42687670
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1c(-c2ccc(F)cc2)n[nH]c1C1CC1
InChIInChI=1S/C20H17ClFN3O2/c21-14-5-9-16(10-6-14)27-11-17(26)23-20-18(12-1-2-12)24-25-19(20)13-3-7-15(22)8-4-13/h3-10,12H,1-2,11H2,(H,23,26)(H,24,25)
InChIKeySJCUHXZIYMBNJQ-UHFFFAOYSA-N
XLogP4.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide (CID 42687670) is 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1c(-c2ccc(F)cc2)n[nH]c1C1CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is SJCUHXZIYMBNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-14-5-9-16(10-6-14)27-11-17(26)23-20-18(12-1-2-12)24-25-19(20)13-3-7-15(22)8-4-13/h3-10,12H,1-2,11H2,(H,23,26)(H,24,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 385.83 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42687670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).