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

C22H22Cl2N4O2 — CID 55635550

IUPAC5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCOCC1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N4O2/c23-16-7-5-15(6-8-16)21-18(13-26-27-21)22(29)25-14-20(28-9-11-30-12-10-28)17-3-1-2-4-19(17)24/h1-8,13,20H,9-12,14H2,(H,25,29)(H,26,27)
InChIKeyLQKBLMJHCKRDAG-UHFFFAOYSA-N
MW445.35 g/mol
LogP4.19
Rot. Bonds6

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

5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide (PubChem CID 55635550) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide
PubChem CID55635550
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC Name5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCOCC1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N4O2/c23-16-7-5-15(6-8-16)21-18(13-26-27-21)22(29)25-14-20(28-9-11-30-12-10-28)17-3-1-2-4-19(17)24/h1-8,13,20H,9-12,14H2,(H,25,29)(H,26,27)
InChIKeyLQKBLMJHCKRDAG-UHFFFAOYSA-N
XLogP4.19
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 60509787
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,4-dimethylbenzamide
CID 46412391
5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120642320
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide
CID 51938682
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60509719
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51659248
5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 39588961
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 55609911
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 25341652

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide (CID 55635550) is 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide is O=C(NCC(c1ccccc1Cl)N1CCOCC1)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LQKBLMJHCKRDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c23-16-7-5-15(6-8-16)21-18(13-26-27-21)22(29)25-14-20(28-9-11-30-12-10-28)17-3-1-2-4-19(17)24/h1-8,13,20H,9-12,14H2,(H,25,29)(H,26,27).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 445.35 g/mol, XLogP of 4.19, 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-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55635550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).