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

C12H17N3O — CID 79106645

IUPAC1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol
SMILESCc1cc(Cn2cccc2C(C)O)n(C)n1
InChIInChI=1S/C12H17N3O/c1-9-7-11(14(3)13-9)8-15-6-4-5-12(15)10(2)16/h4-7,10,16H,8H2,1-3H3
InChIKeyVZCUSORTGCPTTC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.63
Rot. Bonds3

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

1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol (PubChem CID 79106645) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol
PubChem CID79106645
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol
SMILESCc1cc(Cn2cccc2C(C)O)n(C)n1
InChIInChI=1S/C12H17N3O/c1-9-7-11(14(3)13-9)8-15-6-4-5-12(15)10(2)16/h4-7,10,16H,8H2,1-3H3
InChIKeyVZCUSORTGCPTTC-UHFFFAOYSA-N
XLogP1.63
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol (CID 79106645) is 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol is Cc1cc(Cn2cccc2C(C)O)n(C)n1.
What is the InChIKey of 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol?
The InChIKey is VZCUSORTGCPTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-7-11(14(3)13-9)8-15-6-4-5-12(15)10(2)16/h4-7,10,16H,8H2,1-3H3.
What are the key properties of 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol?
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol has a molecular weight of 219.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 79106645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).