(3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine

C7H11N3O2 — CID 178190692

IUPAC(3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine
SMILESN[C@H]1COC[C@H]1Oc1cn[nH]c1
InChIInChI=1S/C7H11N3O2/c8-6-3-11-4-7(6)12-5-1-9-10-2-5/h1-2,6-7H,3-4,8H2,(H,9,10)/t6-,7+/m0/s1
InChIKeyVLSXEFLLQFEFFM-NKWVEPMBSA-N
MW169.18 g/mol
LogP-0.49
Rot. Bonds2

About (3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine

(3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine (PubChem CID 178190692) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine
PubChem CID178190692
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine
SMILESN[C@H]1COC[C@H]1Oc1cn[nH]c1
InChIInChI=1S/C7H11N3O2/c8-6-3-11-4-7(6)12-5-1-9-10-2-5/h1-2,6-7H,3-4,8H2,(H,9,10)/t6-,7+/m0/s1
InChIKeyVLSXEFLLQFEFFM-NKWVEPMBSA-N
XLogP-0.49
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine?
The IUPAC name of (3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine (CID 178190692) is (3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine?
The canonical SMILES for (3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine is N[C@H]1COC[C@H]1Oc1cn[nH]c1.
What is the InChIKey of (3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine?
The InChIKey is VLSXEFLLQFEFFM-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-6-3-11-4-7(6)12-5-1-9-10-2-5/h1-2,6-7H,3-4,8H2,(H,9,10)/t6-,7+/m0/s1.
What are the key properties of (3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine?
(3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine has a molecular weight of 169.18 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(1H-pyrazol-4-yloxy)oxolan-3-amine is sourced from PubChem (CID 178190692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).