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

C18H25N5O — CID 84584750

IUPAC5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESCc1ccn(-c2ccc(N3CC(O)CC3C3CCCCC3)nn2)n1
InChIInChI=1S/C18H25N5O/c1-13-9-10-23(21-13)18-8-7-17(19-20-18)22-12-15(24)11-16(22)14-5-3-2-4-6-14/h7-10,14-16,24H,2-6,11-12H2,1H3
InChIKeyFHWJUYHVOMQQRS-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.49
Rot. Bonds3

About 5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol

5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol (PubChem CID 84584750) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol
PubChem CID84584750
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESCc1ccn(-c2ccc(N3CC(O)CC3C3CCCCC3)nn2)n1
InChIInChI=1S/C18H25N5O/c1-13-9-10-23(21-13)18-8-7-17(19-20-18)22-12-15(24)11-16(22)14-5-3-2-4-6-14/h7-10,14-16,24H,2-6,11-12H2,1H3
InChIKeyFHWJUYHVOMQQRS-UHFFFAOYSA-N
XLogP2.49
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The IUPAC name of 5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol (CID 84584750) is 5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol.
What is the SMILES notation for 5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The canonical SMILES for 5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol is Cc1ccn(-c2ccc(N3CC(O)CC3C3CCCCC3)nn2)n1.
What is the InChIKey of 5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The InChIKey is FHWJUYHVOMQQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-9-10-23(21-13)18-8-7-17(19-20-18)22-12-15(24)11-16(22)14-5-3-2-4-6-14/h7-10,14-16,24H,2-6,11-12H2,1H3.
What are the key properties of 5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol?
5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol has a molecular weight of 327.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol is sourced from PubChem (CID 84584750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).