[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine

C10H17N3O — CID 124507216

IUPAC[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine
SMILESCn1cc([C@@H]2OCCC[C@H]2CN)cn1
InChIInChI=1S/C10H17N3O/c1-13-7-9(6-12-13)10-8(5-11)3-2-4-14-10/h6-8,10H,2-5,11H2,1H3/t8-,10+/m0/s1
InChIKeyMPFVLTQYOBCEMM-WCBMZHEXSA-N
MW195.27 g/mol
LogP0.85
Rot. Bonds2

About [(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine

[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine (PubChem CID 124507216) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine
PubChem CID124507216
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine
SMILESCn1cc([C@@H]2OCCC[C@H]2CN)cn1
InChIInChI=1S/C10H17N3O/c1-13-7-9(6-12-13)10-8(5-11)3-2-4-14-10/h6-8,10H,2-5,11H2,1H3/t8-,10+/m0/s1
InChIKeyMPFVLTQYOBCEMM-WCBMZHEXSA-N
XLogP0.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine?
The IUPAC name of [(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine (CID 124507216) is [(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine.
What is the SMILES notation for [(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine?
The canonical SMILES for [(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine is Cn1cc([C@@H]2OCCC[C@H]2CN)cn1.
What is the InChIKey of [(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine?
The InChIKey is MPFVLTQYOBCEMM-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-7-9(6-12-13)10-8(5-11)3-2-4-14-10/h6-8,10H,2-5,11H2,1H3/t8-,10+/m0/s1.
What are the key properties of [(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine?
[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 124507216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).