5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide

C22H22ClFN4O2 — CID 24595128

IUPAC5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClFN4O2/c23-17-5-1-16(2-6-17)21-19(13-26-27-21)22(29)25-14-20(28-9-11-30-12-10-28)15-3-7-18(24)8-4-15/h1-8,13,20H,9-12,14H2,(H,25,29)(H,26,27)
InChIKeyOMTZCOGDRICCRJ-UHFFFAOYSA-N
MW428.90 g/mol
LogP3.67
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide (PubChem CID 24595128) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide
PubChem CID24595128
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC Name5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClFN4O2/c23-17-5-1-16(2-6-17)21-19(13-26-27-21)22(29)25-14-20(28-9-11-30-12-10-28)15-3-7-18(24)8-4-15/h1-8,13,20H,9-12,14H2,(H,25,29)(H,26,27)
InChIKeyOMTZCOGDRICCRJ-UHFFFAOYSA-N
XLogP3.67
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide (CID 24595128) is 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OMTZCOGDRICCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O2/c23-17-5-1-16(2-6-17)21-19(13-26-27-21)22(29)25-14-20(28-9-11-30-12-10-28)15-3-7-18(24)8-4-15/h1-8,13,20H,9-12,14H2,(H,25,29)(H,26,27).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24595128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).