N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C21H22FN3O4 — CID 25284354

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2OC)cc1OC
InChIInChI=1S/C21H22FN3O4/c1-27-17-9-4-14(12-18(17)28-2)10-11-23-21(26)20-19(29-3)13-25(24-20)16-7-5-15(22)6-8-16/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)
InChIKeyQZTIWEJRTNZORD-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.01
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 25284354) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID25284354
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2OC)cc1OC
InChIInChI=1S/C21H22FN3O4/c1-27-17-9-4-14(12-18(17)28-2)10-11-23-21(26)20-19(29-3)13-25(24-20)16-7-5-15(22)6-8-16/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)
InChIKeyQZTIWEJRTNZORD-UHFFFAOYSA-N
XLogP3.01
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7992549
4-methoxy-N-(2-methoxy-5-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 7992588
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 141484724
N-[(3,4-Dimethoxyphenyl)methyl]-4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]butanamide
CID 16022696
N-[2-(3,4-Diethoxyphenyl)ethyl]-2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}acetamide
CID 16022742
N-[(3,4-Dimethoxyphenyl)methyl]-3-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}propanamide
CID 16022876
Lipid Droplet Inhibitor ML360
CID 70789742
(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 16546599
(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 25163418
3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 2333869
N-(2,5-difluorophenyl)-2-(2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl)acetamide
CID 16028280
N-[(3,4-Dimethoxyphenyl)methyl]-2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}acetamide
CID 16034768

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 25284354) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is COc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2OC)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is QZTIWEJRTNZORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-27-17-9-4-14(12-18(17)28-2)10-11-23-21(26)20-19(29-3)13-25(24-20)16-7-5-15(22)6-8-16/h4-9,12-13H,10-11H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 25284354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).