(2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol

C15H27N3O2 — CID 124608056

IUPAC(2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCO[C@]1(C)C[C@@H](N(C)C[C@H](O)Cn2cccn2)C1(C)C
InChIInChI=1S/C15H27N3O2/c1-14(2)13(9-15(14,3)20-5)17(4)10-12(19)11-18-8-6-7-16-18/h6-8,12-13,19H,9-11H2,1-5H3/t12-,13+,15+/m0/s1
InChIKeyBVTDFVLZXCWEKV-GZBFAFLISA-N
MW281.40 g/mol
LogP1.38
Rot. Bonds6

About (2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 124608056) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID124608056
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCO[C@]1(C)C[C@@H](N(C)C[C@H](O)Cn2cccn2)C1(C)C
InChIInChI=1S/C15H27N3O2/c1-14(2)13(9-15(14,3)20-5)17(4)10-12(19)11-18-8-6-7-16-18/h6-8,12-13,19H,9-11H2,1-5H3/t12-,13+,15+/m0/s1
InChIKeyBVTDFVLZXCWEKV-GZBFAFLISA-N
XLogP1.38
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol (CID 124608056) is (2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol is CO[C@]1(C)C[C@@H](N(C)C[C@H](O)Cn2cccn2)C1(C)C.
What is the InChIKey of (2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is BVTDFVLZXCWEKV-GZBFAFLISA-N. The full InChI is InChI=1S/C15H27N3O2/c1-14(2)13(9-15(14,3)20-5)17(4)10-12(19)11-18-8-6-7-16-18/h6-8,12-13,19H,9-11H2,1-5H3/t12-,13+,15+/m0/s1.
What are the key properties of (2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 124608056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).