3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine

C19H20FN5 — CID 133341779

IUPAC3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine
SMILESCn1cc(CC2CCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cn1
InChIInChI=1S/C19H20FN5/c1-24-12-15(11-21-24)10-14-8-9-25(13-14)19-7-6-18(22-23-19)16-2-4-17(20)5-3-16/h2-7,11-12,14H,8-10,13H2,1H3
InChIKeyXTMKUOCICSSZAW-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.09
Rot. Bonds4

About 3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine

3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine (PubChem CID 133341779) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine
PubChem CID133341779
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine
SMILESCn1cc(CC2CCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cn1
InChIInChI=1S/C19H20FN5/c1-24-12-15(11-21-24)10-14-8-9-25(13-14)19-7-6-18(22-23-19)16-2-4-17(20)5-3-16/h2-7,11-12,14H,8-10,13H2,1H3
InChIKeyXTMKUOCICSSZAW-UHFFFAOYSA-N
XLogP3.09
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
3-ethylsulfanyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]azepane
CID 133311303
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-nitropyridine
CID 133341964
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133341841
3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133412730
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 53004866
4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133342054
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane
CID 133314322
[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine
CID 116972994
4-[[1-(2-fluoro-4-nitrophenyl)pyrrolidin-3-yl]methyl]-1-methylpyrazole
CID 133341896

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine?
The IUPAC name of 3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine (CID 133341779) is 3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine is Cn1cc(CC2CCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cn1.
What is the InChIKey of 3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine?
The InChIKey is XTMKUOCICSSZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-24-12-15(11-21-24)10-14-8-9-25(13-14)19-7-6-18(22-23-19)16-2-4-17(20)5-3-16/h2-7,11-12,14H,8-10,13H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine?
3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine has a molecular weight of 337.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine is sourced from PubChem (CID 133341779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).