methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol

C11H23N3O3 — CID 177365006

IUPACmethanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol
SMILESCO.CO.Cn1nccc1[C@H]1CC[C@@H](CO)N1
InChIInChI=1S/C9H15N3O.2CH4O/c1-12-9(4-5-10-12)8-3-2-7(6-13)11-8;2*1-2/h4-5,7-8,11,13H,2-3,6H2,1H3;2*2H,1H3/t7-,8+;;/m0../s1
InChIKeyRCQUWHXXOLBYBK-OXOJUWDDSA-N
MW245.32 g/mol
LogP-0.58
Rot. Bonds2

About methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol

methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol (PubChem CID 177365006) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Namemethanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol
PubChem CID177365006
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Namemethanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol
SMILESCO.CO.Cn1nccc1[C@H]1CC[C@@H](CO)N1
InChIInChI=1S/C9H15N3O.2CH4O/c1-12-9(4-5-10-12)8-3-2-7(6-13)11-8;2*1-2/h4-5,7-8,11,13H,2-3,6H2,1H3;2*2H,1H3/t7-,8+;;/m0../s1
InChIKeyRCQUWHXXOLBYBK-OXOJUWDDSA-N
XLogP-0.58
TPSA90.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol (CID 177365006) is methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol is CO.CO.Cn1nccc1[C@H]1CC[C@@H](CO)N1.
What is the InChIKey of methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol?
The InChIKey is RCQUWHXXOLBYBK-OXOJUWDDSA-N. The full InChI is InChI=1S/C9H15N3O.2CH4O/c1-12-9(4-5-10-12)8-3-2-7(6-13)11-8;2*1-2/h4-5,7-8,11,13H,2-3,6H2,1H3;2*2H,1H3/t7-,8+;;/m0../s1.
What are the key properties of methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol?
methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol has a molecular weight of 245.32 g/mol, XLogP of -0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 177365006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).