(2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine

C13H16N4O — CID 138039441

IUPAC(2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine
SMILESCn1cc(-c2cncc([C@@H]3OCC[C@H]3N)c2)cn1
InChIInChI=1S/C13H16N4O/c1-17-8-11(7-16-17)9-4-10(6-15-5-9)13-12(14)2-3-18-13/h4-8,12-13H,2-3,14H2,1H3/t12-,13+/m1/s1
InChIKeySEHXTWUTSDAZHM-OLZOCXBDSA-N
MW244.30 g/mol
LogP1.27
Rot. Bonds2

About (2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine

(2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine (PubChem CID 138039441) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine
PubChem CID138039441
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine
SMILESCn1cc(-c2cncc([C@@H]3OCC[C@H]3N)c2)cn1
InChIInChI=1S/C13H16N4O/c1-17-8-11(7-16-17)9-4-10(6-15-5-9)13-12(14)2-3-18-13/h4-8,12-13H,2-3,14H2,1H3/t12-,13+/m1/s1
InChIKeySEHXTWUTSDAZHM-OLZOCXBDSA-N
XLogP1.27
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine?
The IUPAC name of (2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine (CID 138039441) is (2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine is Cn1cc(-c2cncc([C@@H]3OCC[C@H]3N)c2)cn1.
What is the InChIKey of (2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine?
The InChIKey is SEHXTWUTSDAZHM-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-8-11(7-16-17)9-4-10(6-15-5-9)13-12(14)2-3-18-13/h4-8,12-13H,2-3,14H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine?
(2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine has a molecular weight of 244.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine is sourced from PubChem (CID 138039441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).