3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol

C13H17N5O — CID 133410717

IUPAC3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESCc1ccn(-c2ccc(N3CCC(C)(O)C3)nn2)n1
InChIInChI=1S/C13H17N5O/c1-10-5-7-18(16-10)12-4-3-11(14-15-12)17-8-6-13(2,19)9-17/h3-5,7,19H,6,8-9H2,1-2H3
InChIKeyRXSJZUKGUSFDSO-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.93
Rot. Bonds2

About 3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol

3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol (PubChem CID 133410717) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol
PubChem CID133410717
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESCc1ccn(-c2ccc(N3CCC(C)(O)C3)nn2)n1
InChIInChI=1S/C13H17N5O/c1-10-5-7-18(16-10)12-4-3-11(14-15-12)17-8-6-13(2,19)9-17/h3-5,7,19H,6,8-9H2,1-2H3
InChIKeyRXSJZUKGUSFDSO-UHFFFAOYSA-N
XLogP0.93
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol (CID 133410717) is 3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol is Cc1ccn(-c2ccc(N3CCC(C)(O)C3)nn2)n1.
What is the InChIKey of 3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The InChIKey is RXSJZUKGUSFDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-5-7-18(16-10)12-4-3-11(14-15-12)17-8-6-13(2,19)9-17/h3-5,7,19H,6,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol?
3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol has a molecular weight of 259.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol is sourced from PubChem (CID 133410717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).