3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine

C25H31N5O — CID 11418653

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine
SMILESCc1cc(C)n(-c2ccc(OCC3CC(c4ccc(CN5CCCC5)cc4)C3)nn2)n1
InChIInChI=1S/C25H31N5O/c1-18-13-19(2)30(28-18)24-9-10-25(27-26-24)31-17-21-14-23(15-21)22-7-5-20(6-8-22)16-29-11-3-4-12-29/h5-10,13,21,23H,3-4,11-12,14-17H2,1-2H3
InChIKeyNRZFZCWDDPKFHC-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.45
Rot. Bonds7

About 3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine

3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine (PubChem CID 11418653) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine
PubChem CID11418653
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine
SMILESCc1cc(C)n(-c2ccc(OCC3CC(c4ccc(CN5CCCC5)cc4)C3)nn2)n1
InChIInChI=1S/C25H31N5O/c1-18-13-19(2)30(28-18)24-9-10-25(27-26-24)31-17-21-14-23(15-21)22-7-5-20(6-8-22)16-29-11-3-4-12-29/h5-10,13,21,23H,3-4,11-12,14-17H2,1-2H3
InChIKeyNRZFZCWDDPKFHC-UHFFFAOYSA-N
XLogP4.45
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine (CID 11418653) is 3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine is Cc1cc(C)n(-c2ccc(OCC3CC(c4ccc(CN5CCCC5)cc4)C3)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine?
The InChIKey is NRZFZCWDDPKFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-18-13-19(2)30(28-18)24-9-10-25(27-26-24)31-17-21-14-23(15-21)22-7-5-20(6-8-22)16-29-11-3-4-12-29/h5-10,13,21,23H,3-4,11-12,14-17H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine has a molecular weight of 417.56 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methoxy]pyridazine is sourced from PubChem (CID 11418653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).