3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine

C20H23N5 — CID 29149585

IUPAC3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine
SMILESCc1ccc(-c2cccc(-c3ccn(CCN4CCCC4)n3)c2)nn1
InChIInChI=1S/C20H23N5/c1-16-7-8-19(22-21-16)17-5-4-6-18(15-17)20-9-12-25(23-20)14-13-24-10-2-3-11-24/h4-9,12,15H,2-3,10-11,13-14H2,1H3
InChIKeyMFGWDPRCQDIWLV-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.41
Rot. Bonds5

About 3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine

3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine (PubChem CID 29149585) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine
PubChem CID29149585
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine
SMILESCc1ccc(-c2cccc(-c3ccn(CCN4CCCC4)n3)c2)nn1
InChIInChI=1S/C20H23N5/c1-16-7-8-19(22-21-16)17-5-4-6-18(15-17)20-9-12-25(23-20)14-13-24-10-2-3-11-24/h4-9,12,15H,2-3,10-11,13-14H2,1H3
InChIKeyMFGWDPRCQDIWLV-UHFFFAOYSA-N
XLogP3.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine?
The IUPAC name of 3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine (CID 29149585) is 3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine.
What is the SMILES notation for 3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine?
The canonical SMILES for 3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine is Cc1ccc(-c2cccc(-c3ccn(CCN4CCCC4)n3)c2)nn1.
What is the InChIKey of 3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine?
The InChIKey is MFGWDPRCQDIWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-16-7-8-19(22-21-16)17-5-4-6-18(15-17)20-9-12-25(23-20)14-13-24-10-2-3-11-24/h4-9,12,15H,2-3,10-11,13-14H2,1H3.
What are the key properties of 3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine?
3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine has a molecular weight of 333.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridazine is sourced from PubChem (CID 29149585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).