(1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride

C8H15Cl2N3O — CID 122164506

IUPAC(1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2N)c1.Cl.Cl
InChIInChI=1S/C8H13N3O.2ClH/c1-5-3-10-11(4-5)8-6(9)2-7(8)12;;/h3-4,6-8,12H,2,9H2,1H3;2*1H/t6-,7+,8+;;/m0../s1
InChIKeyOCUHDOCDAYUYGT-ZJWYQBPBSA-N
MW240.13 g/mol
LogP0.67
Rot. Bonds1

About (1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride

(1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride (PubChem CID 122164506) has the molecular formula C8H15Cl2N3O and a molecular weight of 240.13 g/mol. Its IUPAC name is (1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride.

Molecular Properties

Compound Name(1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride
PubChem CID122164506
Molecular FormulaC8H15Cl2N3O
Molecular Weight240.13 g/mol
Exact Mass239.06
IUPAC Name(1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2N)c1.Cl.Cl
InChIInChI=1S/C8H13N3O.2ClH/c1-5-3-10-11(4-5)8-6(9)2-7(8)12;;/h3-4,6-8,12H,2,9H2,1H3;2*1H/t6-,7+,8+;;/m0../s1
InChIKeyOCUHDOCDAYUYGT-ZJWYQBPBSA-N
XLogP0.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride?
The IUPAC name of (1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride (CID 122164506) is (1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride.
What is the SMILES notation for (1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride?
The canonical SMILES for (1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride is Cc1cnn([C@H]2[C@H](O)C[C@@H]2N)c1.Cl.Cl.
What is the InChIKey of (1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride?
The InChIKey is OCUHDOCDAYUYGT-ZJWYQBPBSA-N. The full InChI is InChI=1S/C8H13N3O.2ClH/c1-5-3-10-11(4-5)8-6(9)2-7(8)12;;/h3-4,6-8,12H,2,9H2,1H3;2*1H/t6-,7+,8+;;/m0../s1.
What are the key properties of (1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride?
(1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride has a molecular weight of 240.13 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride is sourced from PubChem (CID 122164506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).