(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine

C9H15N3O — CID 124512037

IUPAC(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine
SMILESCc1c([C@@H]2OCC[C@H]2N)cnn1C
InChIInChI=1S/C9H15N3O/c1-6-7(5-11-12(6)2)9-8(10)3-4-13-9/h5,8-9H,3-4,10H2,1-2H3/t8-,9+/m1/s1
InChIKeyIMEFHYRQGSBUQA-BDAKNGLRSA-N
MW181.24 g/mol
LogP0.52
Rot. Bonds1

About (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine

(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine (PubChem CID 124512037) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine
PubChem CID124512037
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine
SMILESCc1c([C@@H]2OCC[C@H]2N)cnn1C
InChIInChI=1S/C9H15N3O/c1-6-7(5-11-12(6)2)9-8(10)3-4-13-9/h5,8-9H,3-4,10H2,1-2H3/t8-,9+/m1/s1
InChIKeyIMEFHYRQGSBUQA-BDAKNGLRSA-N
XLogP0.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine
CID 118742971
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine
CID 118742979
rac-((2R,3S)-2-(1-methyl-1H-pyrazol-5-yl)oxolan-3-yl)methanamine dihydrochloride
CID 86811701
rac-((2R,3S)-2-(trimethyl-1H-pyrazol-4-yl)oxolan-3-yl)methanamine
CID 95970483
rac-(2R,3S)-2-(1,5-dimethyl-1H-pyrazol-4-yl)oxolan-3-amine dihydrochloride
CID 126791059
[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 86811549
(2S,3S)-2-(1-Methyl-1H-pyrazol-5-yl)oxolan-3-amine
CID 119032001
rac-(2R,3R)-2-(1-ethyl-1H-pyrazol-5-yl)oxolan-3-amine
CID 122164425
(2R,3S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine
CID 129340538
[2-(1-methyl-1H-pyrazol-5-yl)oxolan-3-yl]methanamine, trans
CID 86811702
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine
CID 122155808

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine?
The IUPAC name of (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine (CID 124512037) is (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine is Cc1c([C@@H]2OCC[C@H]2N)cnn1C.
What is the InChIKey of (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine?
The InChIKey is IMEFHYRQGSBUQA-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-7(5-11-12(6)2)9-8(10)3-4-13-9/h5,8-9H,3-4,10H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine?
(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine is sourced from PubChem (CID 124512037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).