3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine

C18H26N6 — CID 133317757

IUPAC3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
SMILESCc1ccn(-c2ccc(N3CCC(CN4CCCC4)CC3)nn2)n1
InChIInChI=1S/C18H26N6/c1-15-6-13-24(21-15)18-5-4-17(19-20-18)23-11-7-16(8-12-23)14-22-9-2-3-10-22/h4-6,13,16H,2-3,7-12,14H2,1H3
InChIKeyFPWFETBWDWZRCO-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.28
Rot. Bonds4

About 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine

3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine (PubChem CID 133317757) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
PubChem CID133317757
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
SMILESCc1ccn(-c2ccc(N3CCC(CN4CCCC4)CC3)nn2)n1
InChIInChI=1S/C18H26N6/c1-15-6-13-24(21-15)18-5-4-17(19-20-18)23-11-7-16(8-12-23)14-22-9-2-3-10-22/h4-6,13,16H,2-3,7-12,14H2,1H3
InChIKeyFPWFETBWDWZRCO-UHFFFAOYSA-N
XLogP2.28
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine (CID 133317757) is 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine is Cc1ccn(-c2ccc(N3CCC(CN4CCCC4)CC3)nn2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine?
The InChIKey is FPWFETBWDWZRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-15-6-13-24(21-15)18-5-4-17(19-20-18)23-11-7-16(8-12-23)14-22-9-2-3-10-22/h4-6,13,16H,2-3,7-12,14H2,1H3.
What are the key properties of 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine?
3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine has a molecular weight of 326.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 133317757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).