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

C20H19ClFN3O2 — CID 42874122

IUPAC2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
SMILESCCCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-2-3-17-20(19(25-24-17)13-4-8-15(22)9-5-13)23-18(26)12-27-16-10-6-14(21)7-11-16/h4-11H,2-3,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyRCYDNORMDBCZGX-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.84
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide (PubChem CID 42874122) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
PubChem CID42874122
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
SMILESCCCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-2-3-17-20(19(25-24-17)13-4-8-15(22)9-5-13)23-18(26)12-27-16-10-6-14(21)7-11-16/h4-11H,2-3,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyRCYDNORMDBCZGX-UHFFFAOYSA-N
XLogP4.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.84
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-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide (CID 42874122) is 2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide is CCCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide?
The InChIKey is RCYDNORMDBCZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-2-3-17-20(19(25-24-17)13-4-8-15(22)9-5-13)23-18(26)12-27-16-10-6-14(21)7-11-16/h4-11H,2-3,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide has a molecular weight of 387.84 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42874122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).