[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol

C11H15N3O — CID 66399113

IUPAC[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol
SMILESCc1cc(Cn2cccc2CO)n(C)n1
InChIInChI=1S/C11H15N3O/c1-9-6-11(13(2)12-9)7-14-5-3-4-10(14)8-15/h3-6,15H,7-8H2,1-2H3
InChIKeyLAZHNHQIZLVJHS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.07
Rot. Bonds3

About [1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol

[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol (PubChem CID 66399113) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is [1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol
PubChem CID66399113
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol
SMILESCc1cc(Cn2cccc2CO)n(C)n1
InChIInChI=1S/C11H15N3O/c1-9-6-11(13(2)12-9)7-14-5-3-4-10(14)8-15/h3-6,15H,7-8H2,1-2H3
InChIKeyLAZHNHQIZLVJHS-UHFFFAOYSA-N
XLogP1.07
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol?
The IUPAC name of [1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol (CID 66399113) is [1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol.
What is the SMILES notation for [1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol?
The canonical SMILES for [1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol is Cc1cc(Cn2cccc2CO)n(C)n1.
What is the InChIKey of [1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol?
The InChIKey is LAZHNHQIZLVJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-6-11(13(2)12-9)7-14-5-3-4-10(14)8-15/h3-6,15H,7-8H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol?
[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol has a molecular weight of 205.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol is sourced from PubChem (CID 66399113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).