3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine

C16H23N5O — CID 97470693

IUPAC3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine
SMILESCCO[C@@H]1CCN(c2ccc(C)nn2)[C@@H]1Cc1cnn(C)c1
InChIInChI=1S/C16H23N5O/c1-4-22-15-7-8-21(16-6-5-12(2)18-19-16)14(15)9-13-10-17-20(3)11-13/h5-6,10-11,14-15H,4,7-9H2,1-3H3/t14-,15-/m1/s1
InChIKeyUAIRDXFJKNHMBN-HUUCEWRRSA-N
MW301.39 g/mol
LogP1.75
Rot. Bonds5

About 3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine

3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine (PubChem CID 97470693) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine
PubChem CID97470693
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine
SMILESCCO[C@@H]1CCN(c2ccc(C)nn2)[C@@H]1Cc1cnn(C)c1
InChIInChI=1S/C16H23N5O/c1-4-22-15-7-8-21(16-6-5-12(2)18-19-16)14(15)9-13-10-17-20(3)11-13/h5-6,10-11,14-15H,4,7-9H2,1-3H3/t14-,15-/m1/s1
InChIKeyUAIRDXFJKNHMBN-HUUCEWRRSA-N
XLogP1.75
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine (CID 97470693) is 3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine is CCO[C@@H]1CCN(c2ccc(C)nn2)[C@@H]1Cc1cnn(C)c1.
What is the InChIKey of 3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine?
The InChIKey is UAIRDXFJKNHMBN-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-22-15-7-8-21(16-6-5-12(2)18-19-16)14(15)9-13-10-17-20(3)11-13/h5-6,10-11,14-15H,4,7-9H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of 3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine?
3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine has a molecular weight of 301.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 97470693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).