N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide

C13H15N5O3 — CID 99903607

IUPACN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncccc1=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C13H15N5O3/c19-12(8-18-13(20)2-1-4-14-18)16-10-6-15-17(7-10)11-3-5-21-9-11/h1-2,4,6-7,11H,3,5,8-9H2,(H,16,19)/t11-/m0/s1
InChIKeyMCVXCYVCKVIAKJ-NSHDSACASA-N
MW289.29 g/mol
LogP0.04
Rot. Bonds4

About N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide

N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 99903607) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID99903607
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncccc1=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C13H15N5O3/c19-12(8-18-13(20)2-1-4-14-18)16-10-6-15-17(7-10)11-3-5-21-9-11/h1-2,4,6-7,11H,3,5,8-9H2,(H,16,19)/t11-/m0/s1
InChIKeyMCVXCYVCKVIAKJ-NSHDSACASA-N
XLogP0.04
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide (CID 99903607) is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide is O=C(Cn1ncccc1=O)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is MCVXCYVCKVIAKJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N5O3/c19-12(8-18-13(20)2-1-4-14-18)16-10-6-15-17(7-10)11-3-5-21-9-11/h1-2,4,6-7,11H,3,5,8-9H2,(H,16,19)/t11-/m0/s1.
What are the key properties of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 289.29 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 99903607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).