(2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride

C10H19Cl2N3O2 — CID 122164099

IUPAC(2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride
SMILESCOCCn1cc([C@@H]2OCC[C@H]2N)cn1.Cl.Cl
InChIInChI=1S/C10H17N3O2.2ClH/c1-14-5-3-13-7-8(6-12-13)10-9(11)2-4-15-10;;/h6-7,9-10H,2-5,11H2,1H3;2*1H/t9-,10+;;/m1../s1
InChIKeyIZMLYSJIWFBQGM-NKRBYZSKSA-N
MW284.19 g/mol
LogP1.16
Rot. Bonds4

About (2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride

(2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride (PubChem CID 122164099) has the molecular formula C10H19Cl2N3O2 and a molecular weight of 284.19 g/mol. Its IUPAC name is (2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride
PubChem CID122164099
Molecular FormulaC10H19Cl2N3O2
Molecular Weight284.19 g/mol
Exact Mass283.09
IUPAC Name(2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride
SMILESCOCCn1cc([C@@H]2OCC[C@H]2N)cn1.Cl.Cl
InChIInChI=1S/C10H17N3O2.2ClH/c1-14-5-3-13-7-8(6-12-13)10-9(11)2-4-15-10;;/h6-7,9-10H,2-5,11H2,1H3;2*1H/t9-,10+;;/m1../s1
InChIKeyIZMLYSJIWFBQGM-NKRBYZSKSA-N
XLogP1.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
2-(1-methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride
CID 119056955
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
rac-(2R,3S)-2-(1-(cyclopropylmethyl)-1H-pyrazol-4-yl)oxolan-3-amine dihydrochloride
CID 122164221
rac-(2R,3S)-2-(1,5-dimethyl-1H-pyrazol-4-yl)oxolan-3-amine dihydrochloride
CID 126791059
[2-(1-methyl-1H-pyrazol-4-yl)oxolan-2-yl]methanamine
CID 132343993
2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
CID 71929305
1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
CID 164640819
4-(1-Methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine
CID 103029606
N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029626
1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029627
1-[(2-Methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103029724

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride?
The IUPAC name of (2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride (CID 122164099) is (2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride.
What is the SMILES notation for (2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride?
The canonical SMILES for (2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride is COCCn1cc([C@@H]2OCC[C@H]2N)cn1.Cl.Cl.
What is the InChIKey of (2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride?
The InChIKey is IZMLYSJIWFBQGM-NKRBYZSKSA-N. The full InChI is InChI=1S/C10H17N3O2.2ClH/c1-14-5-3-13-7-8(6-12-13)10-9(11)2-4-15-10;;/h6-7,9-10H,2-5,11H2,1H3;2*1H/t9-,10+;;/m1../s1.
What are the key properties of (2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride?
(2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride has a molecular weight of 284.19 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 122164099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).