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

C9H17Cl2N3O — CID 126791059

IUPAC(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCc1c([C@@H]2OCC[C@H]2N)cnn1C.Cl.Cl
InChIInChI=1S/C9H15N3O.2ClH/c1-6-7(5-11-12(6)2)9-8(10)3-4-13-9;;/h5,8-9H,3-4,10H2,1-2H3;2*1H/t8-,9+;;/m1../s1
InChIKeyDKGLETFQYKIBPO-BPRGXCPLSA-N
MW254.16 g/mol
LogP1.36
Rot. Bonds1

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

(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride (PubChem CID 126791059) has the molecular formula C9H17Cl2N3O and a molecular weight of 254.16 g/mol. Its IUPAC name is (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
PubChem CID126791059
Molecular FormulaC9H17Cl2N3O
Molecular Weight254.16 g/mol
Exact Mass253.07
IUPAC Name(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCc1c([C@@H]2OCC[C@H]2N)cnn1C.Cl.Cl
InChIInChI=1S/C9H15N3O.2ClH/c1-6-7(5-11-12(6)2)9-8(10)3-4-13-9;;/h5,8-9H,3-4,10H2,1-2H3;2*1H/t8-,9+;;/m1../s1
InChIKeyDKGLETFQYKIBPO-BPRGXCPLSA-N
XLogP1.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]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-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 86811549
rac-(2R,3S)-2-(1,5-dimethyl-1H-pyrazol-4-yl)oxolan-3-amine
CID 124512037
[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
1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-[(2S)-1,1,1-trifluoropropan-2-yl]urea
CID 138000499
3-(Oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 153574396

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The IUPAC name of (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride (CID 126791059) is (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride.
What is the SMILES notation for (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The canonical SMILES for (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride is Cc1c([C@@H]2OCC[C@H]2N)cnn1C.Cl.Cl.
What is the InChIKey of (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The InChIKey is DKGLETFQYKIBPO-BPRGXCPLSA-N. The full InChI is InChI=1S/C9H15N3O.2ClH/c1-6-7(5-11-12(6)2)9-8(10)3-4-13-9;;/h5,8-9H,3-4,10H2,1-2H3;2*1H/t8-,9+;;/m1../s1.
What are the key properties of (2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride has a molecular weight of 254.16 g/mol, XLogP of 1.36, 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;dihydrochloride is sourced from PubChem (CID 126791059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).