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

C23H34N6O — CID 20946898

IUPACN-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NC1CCCCC1
InChIInChI=1S/C23H34N6O/c1-17-20(11-14-23(30)24-19-9-5-3-6-10-19)18(2)29(27-17)22-13-12-21(25-26-22)28-15-7-4-8-16-28/h12-13,19H,3-11,14-16H2,1-2H3,(H,24,30)
InChIKeyQKWNWUNMXMMOTB-UHFFFAOYSA-N
MW410.57 g/mol
LogP3.65
Rot. Bonds6

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

N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide (PubChem CID 20946898) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
PubChem CID20946898
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC NameN-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NC1CCCCC1
InChIInChI=1S/C23H34N6O/c1-17-20(11-14-23(30)24-19-9-5-3-6-10-19)18(2)29(27-17)22-13-12-21(25-26-22)28-15-7-4-8-16-28/h12-13,19H,3-11,14-16H2,1-2H3,(H,24,30)
InChIKeyQKWNWUNMXMMOTB-UHFFFAOYSA-N
XLogP3.65
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 53.65
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-(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
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
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 20946932
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 20946865
1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one
CID 20946972
N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 46339991
N-cyclopentyl-3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 137095027
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
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-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide
CID 53069421

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide (CID 20946898) is N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide is Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
The InChIKey is QKWNWUNMXMMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-17-20(11-14-23(30)24-19-9-5-3-6-10-19)18(2)29(27-17)22-13-12-21(25-26-22)28-15-7-4-8-16-28/h12-13,19H,3-11,14-16H2,1-2H3,(H,24,30).
What are the key properties of N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide has a molecular weight of 410.57 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 20946898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).