3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine

C12H15N5 — CID 122572514

IUPAC3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine
SMILESCc1[nH]ncc1-c1ccc(N2CCCC2)nn1
InChIInChI=1S/C12H15N5/c1-9-10(8-13-14-9)11-4-5-12(16-15-11)17-6-2-3-7-17/h4-5,8H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyUCUXJYMEFFMMRC-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.78
Rot. Bonds2

About 3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine

3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine (PubChem CID 122572514) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine
PubChem CID122572514
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine
SMILESCc1[nH]ncc1-c1ccc(N2CCCC2)nn1
InChIInChI=1S/C12H15N5/c1-9-10(8-13-14-9)11-4-5-12(16-15-11)17-6-2-3-7-17/h4-5,8H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyUCUXJYMEFFMMRC-UHFFFAOYSA-N
XLogP1.78
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine (CID 122572514) is 3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine is Cc1[nH]ncc1-c1ccc(N2CCCC2)nn1.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine?
The InChIKey is UCUXJYMEFFMMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-9-10(8-13-14-9)11-4-5-12(16-15-11)17-6-2-3-7-17/h4-5,8H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine?
3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine has a molecular weight of 229.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 122572514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).