(2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide

C14H17N5O2 — CID 164642202

IUPAC(2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide
SMILESCc1ccc(-n2nccc2NC(=O)[C@@H]2CCCCO2)nn1
InChIInChI=1S/C14H17N5O2/c1-10-5-6-13(18-17-10)19-12(7-8-15-19)16-14(20)11-4-2-3-9-21-11/h5-8,11H,2-4,9H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyQZWXUIRTNSFDSN-NSHDSACASA-N
MW287.32 g/mol
LogP1.48
Rot. Bonds3

About (2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide

(2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide (PubChem CID 164642202) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide
PubChem CID164642202
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide
SMILESCc1ccc(-n2nccc2NC(=O)[C@@H]2CCCCO2)nn1
InChIInChI=1S/C14H17N5O2/c1-10-5-6-13(18-17-10)19-12(7-8-15-19)16-14(20)11-4-2-3-9-21-11/h5-8,11H,2-4,9H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyQZWXUIRTNSFDSN-NSHDSACASA-N
XLogP1.48
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide (CID 164642202) is (2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide is Cc1ccc(-n2nccc2NC(=O)[C@@H]2CCCCO2)nn1.
What is the InChIKey of (2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide?
The InChIKey is QZWXUIRTNSFDSN-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-5-6-13(18-17-10)19-12(7-8-15-19)16-14(20)11-4-2-3-9-21-11/h5-8,11H,2-4,9H2,1H3,(H,16,20)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide?
(2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]oxane-2-carboxamide is sourced from PubChem (CID 164642202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).