N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide

C24H27N5O3 — CID 141065667

IUPACN-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C2=NN(CCc3ccc(NC(=O)c4ccn[nH]4)cc3)CCC2)cc1OC
InChIInChI=1S/C24H27N5O3/c1-31-22-10-7-18(16-23(22)32-2)20-4-3-14-29(28-20)15-12-17-5-8-19(9-6-17)26-24(30)21-11-13-25-27-21/h5-11,13,16H,3-4,12,14-15H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyFRHYECUMMBZIHC-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.72
Rot. Bonds8

About N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide

N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 141065667) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID141065667
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C2=NN(CCc3ccc(NC(=O)c4ccn[nH]4)cc3)CCC2)cc1OC
InChIInChI=1S/C24H27N5O3/c1-31-22-10-7-18(16-23(22)32-2)20-4-3-14-29(28-20)15-12-17-5-8-19(9-6-17)26-24(30)21-11-13-25-27-21/h5-11,13,16H,3-4,12,14-15H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyFRHYECUMMBZIHC-UHFFFAOYSA-N
XLogP3.72
TPSA91.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide
CID 141065647
N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide
CID 141065680
N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10299730
N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]propanamide
CID 18623390
N-[4-[2-[5-(3,4-dimethoxyphenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]ethyl]phenyl]acetamide
CID 19358046
N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide
CID 141065608
N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 18403713
N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 54176992
N-[4-[[5-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethyl-2-formyl-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 174461772
N-[4-[[6-ethyl-5-(3-hydroxy-4-methoxyphenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 54152461
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(4-methylbenzoyl)amino]benzamide
CID 23433313
N-[4-[[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 23433342

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide (CID 141065667) is N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide is COc1ccc(C2=NN(CCc3ccc(NC(=O)c4ccn[nH]4)cc3)CCC2)cc1OC.
What is the InChIKey of N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FRHYECUMMBZIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-31-22-10-7-18(16-23(22)32-2)20-4-3-14-29(28-20)15-12-17-5-8-19(9-6-17)26-24(30)21-11-13-25-27-21/h5-11,13,16H,3-4,12,14-15H2,1-2H3,(H,25,27)(H,26,30).
What are the key properties of N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide?
N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 141065667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).