2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol

C17H24F3N3O — CID 135237402

IUPAC2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol
SMILESOCC(C1[C@H](n2cc(C3CC3)cn2)CC12CCNCC2)C(F)(F)F
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)13(10-24)15-14(7-16(15)3-5-21-6-4-16)23-9-12(8-22-23)11-1-2-11/h8-9,11,13-15,21,24H,1-7,10H2/t13?,14-,15?/m1/s1
InChIKeyLVLWLNLAYPUUBG-SHARSMKWSA-N
MW343.39 g/mol
LogP2.86
Rot. Bonds4

About 2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol

2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol (PubChem CID 135237402) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol
PubChem CID135237402
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol
SMILESOCC(C1[C@H](n2cc(C3CC3)cn2)CC12CCNCC2)C(F)(F)F
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)13(10-24)15-14(7-16(15)3-5-21-6-4-16)23-9-12(8-22-23)11-1-2-11/h8-9,11,13-15,21,24H,1-7,10H2/t13?,14-,15?/m1/s1
InChIKeyLVLWLNLAYPUUBG-SHARSMKWSA-N
XLogP2.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol (CID 135237402) is 2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol is OCC(C1[C@H](n2cc(C3CC3)cn2)CC12CCNCC2)C(F)(F)F.
What is the InChIKey of 2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol?
The InChIKey is LVLWLNLAYPUUBG-SHARSMKWSA-N. The full InChI is InChI=1S/C17H24F3N3O/c18-17(19,20)13(10-24)15-14(7-16(15)3-5-21-6-4-16)23-9-12(8-22-23)11-1-2-11/h8-9,11,13-15,21,24H,1-7,10H2/t13?,14-,15?/m1/s1.
What are the key properties of 2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol?
2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol has a molecular weight of 343.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-cyclopropylpyrazol-1-yl)-7-azaspiro[3.5]nonan-3-yl]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 135237402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).