4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide

C22H24ClN3O3 — CID 91633917

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C22H24ClN3O3/c1-28-13-11-26(12-14-29-2)22(27)18-5-3-16(4-6-18)20-15-21(25-24-20)17-7-9-19(23)10-8-17/h3-10,15H,11-14H2,1-2H3,(H,24,25)
InChIKeyMCRUYDDZUCGCFM-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.13
Rot. Bonds9

About 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide

4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 91633917) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide
PubChem CID91633917
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C22H24ClN3O3/c1-28-13-11-26(12-14-29-2)22(27)18-5-3-16(4-6-18)20-15-21(25-24-20)17-7-9-19(23)10-8-17/h3-10,15H,11-14H2,1-2H3,(H,24,25)
InChIKeyMCRUYDDZUCGCFM-UHFFFAOYSA-N
XLogP4.13
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-ethyl-N-propylbenzamide
CID 46092116
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 46091792
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 42793111
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46109252
N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide
CID 46092055
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide
CID 92767970
3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091776
4-chloro-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2987726
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46109251
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide (CID 91633917) is 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is MCRUYDDZUCGCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-28-13-11-26(12-14-29-2)22(27)18-5-3-16(4-6-18)20-15-21(25-24-20)17-7-9-19(23)10-8-17/h3-10,15H,11-14H2,1-2H3,(H,24,25).
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide?
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 413.91 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 91633917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).