3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

C19H21N5O — CID 133333528

IUPAC3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCOc1cccc(C2CCCN2c2ccc(-n3ccc(C)n3)nn2)c1
InChIInChI=1S/C19H21N5O/c1-14-10-12-24(22-14)19-9-8-18(20-21-19)23-11-4-7-17(23)15-5-3-6-16(13-15)25-2/h3,5-6,8-10,12-13,17H,4,7,11H2,1-2H3
InChIKeyMLTRSEHSOMZFJU-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.32
Rot. Bonds4

About 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (PubChem CID 133333528) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
PubChem CID133333528
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCOc1cccc(C2CCCN2c2ccc(-n3ccc(C)n3)nn2)c1
InChIInChI=1S/C19H21N5O/c1-14-10-12-24(22-14)19-9-8-18(20-21-19)23-11-4-7-17(23)15-5-3-6-16(13-15)25-2/h3,5-6,8-10,12-13,17H,4,7,11H2,1-2H3
InChIKeyMLTRSEHSOMZFJU-UHFFFAOYSA-N
XLogP3.32
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133333569
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]quinoline
CID 133331422
2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole
CID 125138384
5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133369937
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133333545
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 138041623
methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 97064012
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133333521

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (CID 133333528) is 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is COc1cccc(C2CCCN2c2ccc(-n3ccc(C)n3)nn2)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The InChIKey is MLTRSEHSOMZFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-10-12-24(22-14)19-9-8-18(20-21-19)23-11-4-7-17(23)15-5-3-6-16(13-15)25-2/h3,5-6,8-10,12-13,17H,4,7,11H2,1-2H3.
What are the key properties of 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine has a molecular weight of 335.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 133333528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).