[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C15H19N5O2 — CID 100623567

IUPAC[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C15H19N5O2/c1-10-14(11(2)19(3)18-10)15(21)20-8-6-12(9-20)22-13-5-4-7-16-17-13/h4-5,7,12H,6,8-9H2,1-3H3/t12-/m1/s1
InChIKeyDWLUVSYUMVRKIY-GFCCVEGCSA-N
MW301.35 g/mol
LogP1.12
Rot. Bonds3

About [(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 100623567) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID100623567
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C15H19N5O2/c1-10-14(11(2)19(3)18-10)15(21)20-8-6-12(9-20)22-13-5-4-7-16-17-13/h4-5,7,12H,6,8-9H2,1-3H3/t12-/m1/s1
InChIKeyDWLUVSYUMVRKIY-GFCCVEGCSA-N
XLogP1.12
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129338666
[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129338665
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620419
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100621693
(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100623677
(5-methylpyrazin-2-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627264
(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624368
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208
(2-methylsulfanylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638321
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 100623567) is [(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](Oc2cccnn2)C1.
What is the InChIKey of [(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is DWLUVSYUMVRKIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-14(11(2)19(3)18-10)15(21)20-8-6-12(9-20)22-13-5-4-7-16-17-13/h4-5,7,12H,6,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of [(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 100623567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).