5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide

C23H25ClN4O3 — CID 60590298

IUPAC5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O3/c24-19-6-4-18(5-7-19)22-21(16-26-27-22)23(29)25-15-17-2-1-3-20(14-17)31-13-10-28-8-11-30-12-9-28/h1-7,14,16H,8-13,15H2,(H,25,29)(H,26,27)
InChIKeyKIBBWTDHILKBIL-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.37
Rot. Bonds8

About 5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 60590298) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID60590298
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O3/c24-19-6-4-18(5-7-19)22-21(16-26-27-22)23(29)25-15-17-2-1-3-20(14-17)31-13-10-28-8-11-30-12-9-28/h1-7,14,16H,8-13,15H2,(H,25,29)(H,26,27)
InChIKeyKIBBWTDHILKBIL-UHFFFAOYSA-N
XLogP3.37
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 70195581
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
1-(3,4-dichlorophenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60590463
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 60590474
3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 60590384
2-(3,4-dichlorophenyl)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 52807125
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide
CID 98007458
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide;dihydrochloride
CID 163320860

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 60590298) is 5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCc1cccc(OCCN2CCOCC2)c1)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is KIBBWTDHILKBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c24-19-6-4-18(5-7-19)22-21(16-26-27-22)23(29)25-15-17-2-1-3-20(14-17)31-13-10-28-8-11-30-12-9-28/h1-7,14,16H,8-13,15H2,(H,25,29)(H,26,27).
What are the key properties of 5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60590298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).