N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide

C23H26F2N6O — CID 20946932

IUPACN-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C23H26F2N6O/c1-15-18(7-11-23(32)26-17-6-8-19(24)20(25)14-17)16(2)31(29-15)22-10-9-21(27-28-22)30-12-4-3-5-13-30/h6,8-10,14H,3-5,7,11-13H2,1-2H3,(H,26,32)
InChIKeyOONROJLPUZPXRH-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.12
Rot. Bonds6

About N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide

N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide (PubChem CID 20946932) has the molecular formula C23H26F2N6O and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
PubChem CID20946932
Molecular FormulaC23H26F2N6O
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC NameN-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C23H26F2N6O/c1-15-18(7-11-23(32)26-17-6-8-19(24)20(25)14-17)16(2)31(29-15)22-10-9-21(27-28-22)30-12-4-3-5-13-30/h6,8-10,14H,3-5,7,11-13H2,1-2H3,(H,26,32)
InChIKeyOONROJLPUZPXRH-UHFFFAOYSA-N
XLogP4.12
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
CID 20946907
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-methoxyphenyl)propanamide
CID 20946897
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 53069490
N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 46339991
N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 20946898
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide
CID 20946950
1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one
CID 20946910
N-(4-bromophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069539
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46339989
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 20946865
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 53069430
1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one
CID 20946972

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide (CID 20946932) is N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide is Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
The InChIKey is OONROJLPUZPXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O/c1-15-18(7-11-23(32)26-17-6-8-19(24)20(25)14-17)16(2)31(29-15)22-10-9-21(27-28-22)30-12-4-3-5-13-30/h6,8-10,14H,3-5,7,11-13H2,1-2H3,(H,26,32).
What are the key properties of N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide has a molecular weight of 440.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 20946932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).