3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C21H30N6O — CID 20946916

IUPAC3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)N1CCCC1
InChIInChI=1S/C21H30N6O/c1-16-18(8-11-21(28)26-14-6-7-15-26)17(2)27(24-16)20-10-9-19(22-23-20)25-12-4-3-5-13-25/h9-10H,3-8,11-15H2,1-2H3
InChIKeyWNBPYKPFNWKEJZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.82
Rot. Bonds5

About 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 20946916) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID20946916
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)N1CCCC1
InChIInChI=1S/C21H30N6O/c1-16-18(8-11-21(28)26-14-6-7-15-26)17(2)27(24-16)20-10-9-19(22-23-20)25-12-4-3-5-13-25/h9-10H,3-8,11-15H2,1-2H3
InChIKeyWNBPYKPFNWKEJZ-UHFFFAOYSA-N
XLogP2.82
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 20946916) is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one is Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)N1CCCC1.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WNBPYKPFNWKEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-16-18(8-11-21(28)26-14-6-7-15-26)17(2)27(24-16)20-10-9-19(22-23-20)25-12-4-3-5-13-25/h9-10H,3-8,11-15H2,1-2H3.
What are the key properties of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 382.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 20946916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).