(3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol

C8H13N3O2 — CID 130680255

IUPAC(3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1ccn[nH]1
InChIInChI=1S/C8H13N3O2/c12-8-5-13-4-7(8)9-3-6-1-2-10-11-6/h1-2,7-9,12H,3-5H2,(H,10,11)/t7-,8-/m1/s1
InChIKeyVYFJYSQFGWVOAR-HTQZYQBOSA-N
MW183.21 g/mol
LogP-0.74
Rot. Bonds3

About (3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol

(3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol (PubChem CID 130680255) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol
PubChem CID130680255
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1ccn[nH]1
InChIInChI=1S/C8H13N3O2/c12-8-5-13-4-7(8)9-3-6-1-2-10-11-6/h1-2,7-9,12H,3-5H2,(H,10,11)/t7-,8-/m1/s1
InChIKeyVYFJYSQFGWVOAR-HTQZYQBOSA-N
XLogP-0.74
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine
CID 130173693
2-(1H-pyrazol-5-ylmethylamino)cyclopentan-1-ol
CID 115641893
4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol
CID 43662327
(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
CID 93384643
trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine
CID 175633952
4,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine
CID 130663973
(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
CID 93384215
2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 61284102
2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine
CID 102671469
4-amino-N-(1H-pyrazol-5-ylmethyl)oxolane-3-carboxamide
CID 66236271
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61019453

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol (CID 130680255) is (3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol is O[C@@H]1COC[C@H]1NCc1ccn[nH]1.
What is the InChIKey of (3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol?
The InChIKey is VYFJYSQFGWVOAR-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-8-5-13-4-7(8)9-3-6-1-2-10-11-6/h1-2,7-9,12H,3-5H2,(H,10,11)/t7-,8-/m1/s1.
What are the key properties of (3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol?
(3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol has a molecular weight of 183.21 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol is sourced from PubChem (CID 130680255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).