1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol

C26H33N7O — CID 174246618

IUPAC1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol
SMILESCCc1nnc2ccc(-n3nc(C)c(CCC(O)N4CCC(Cc5ccccc5)C4)c3C)nn12
InChIInChI=1S/C26H33N7O/c1-4-23-27-28-24-11-12-25(30-33(23)24)32-19(3)22(18(2)29-32)10-13-26(34)31-15-14-21(17-31)16-20-8-6-5-7-9-20/h5-9,11-12,21,26,34H,4,10,13-17H2,1-3H3
InChIKeyFZRFTHWNXVETQV-UHFFFAOYSA-N
MW459.60 g/mol
LogP3.30
Rot. Bonds8

About 1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol

1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol (PubChem CID 174246618) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is 1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol
PubChem CID174246618
Molecular FormulaC26H33N7O
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol
SMILESCCc1nnc2ccc(-n3nc(C)c(CCC(O)N4CCC(Cc5ccccc5)C4)c3C)nn12
InChIInChI=1S/C26H33N7O/c1-4-23-27-28-24-11-12-25(30-33(23)24)32-19(3)22(18(2)29-32)10-13-26(34)31-15-14-21(17-31)16-20-8-6-5-7-9-20/h5-9,11-12,21,26,34H,4,10,13-17H2,1-3H3
InChIKeyFZRFTHWNXVETQV-UHFFFAOYSA-N
XLogP3.30
TPSA84.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol with MolForge

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Related Compounds

1-[(3R)-3-benzylpyrrolidin-1-yl]-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propan-1-one
CID 134354897
3-[6-(4-benzylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-methylphenyl)propanamide
CID 20881412
6-(3,5-dimethyl-4-propylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 139524458
3-(3-benzylazetidin-1-yl)-1-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propan-1-one
CID 139311439
1-(3-benzyl-3-methylpyrrolidin-1-yl)-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propan-1-one
CID 139512843
3-[3,5-dimethyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134354881
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 139512801
4-[[6-[3-(2-phenylethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59338982
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanoic acid;3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one;methane;2-(piperidin-4-ylmethyl)pyridine
CID 157430403
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanoic acid;3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one;methane;2-(piperidin-4-ylmethyl)pyridine
CID 157067836
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one;pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecayne
CID 158975537
3-[3,5-dimethyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-(3,3-dimethylpyrrolidin-1-yl)propan-1-one
CID 134354786

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol (CID 174246618) is 1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol is CCc1nnc2ccc(-n3nc(C)c(CCC(O)N4CCC(Cc5ccccc5)C4)c3C)nn12.
What is the InChIKey of 1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The InChIKey is FZRFTHWNXVETQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O/c1-4-23-27-28-24-11-12-25(30-33(23)24)32-19(3)22(18(2)29-32)10-13-26(34)31-15-14-21(17-31)16-20-8-6-5-7-9-20/h5-9,11-12,21,26,34H,4,10,13-17H2,1-3H3.
What are the key properties of 1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol?
1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol has a molecular weight of 459.60 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylpyrrolidin-1-yl)-3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,5-dimethylpyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 174246618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).