(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone

C15H19N5O — CID 121279590

IUPAC(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3cccnn3)C2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10(2)13-8-14(19-18-13)15(21)20-7-5-11(9-20)12-4-3-6-16-17-12/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,18,19)
InChIKeyAROJQSDVEMIUIU-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.95
Rot. Bonds3

About (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone

(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 121279590) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone
PubChem CID121279590
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3cccnn3)C2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10(2)13-8-14(19-18-13)15(21)20-7-5-11(9-20)12-4-3-6-16-17-12/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,18,19)
InChIKeyAROJQSDVEMIUIU-UHFFFAOYSA-N
XLogP1.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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US10022354, Example 46
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US10022354, Example 71
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US10022354, Example 45
CID 121279684
US10022354, Example 183
CID 121279732
US10022354, Example 108
CID 121279610
US10022354, Example 54
CID 121279690
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 122703588
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 137638363
US10022354, Example 156
CID 121279662

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone (CID 121279590) is (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone is CC(C)c1cc(C(=O)N2CCC(c3cccnn3)C2)n[nH]1.
What is the InChIKey of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is AROJQSDVEMIUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(2)13-8-14(19-18-13)15(21)20-7-5-11(9-20)12-4-3-6-16-17-12/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,18,19).
What are the key properties of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone?
(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 121279590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).