[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol

C17H25N3O — CID 107230009

IUPAC[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol
SMILESCCn1nc(C)c(C(C)NCc2ccc(CO)cc2)c1C
InChIInChI=1S/C17H25N3O/c1-5-20-14(4)17(13(3)19-20)12(2)18-10-15-6-8-16(11-21)9-7-15/h6-9,12,18,21H,5,10-11H2,1-4H3
InChIKeyVGHYRWVILRDVIC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.86
Rot. Bonds6

About [4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol

[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol (PubChem CID 107230009) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol
PubChem CID107230009
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol
SMILESCCn1nc(C)c(C(C)NCc2ccc(CO)cc2)c1C
InChIInChI=1S/C17H25N3O/c1-5-20-14(4)17(13(3)19-20)12(2)18-10-15-6-8-16(11-21)9-7-15/h6-9,12,18,21H,5,10-11H2,1-4H3
InChIKeyVGHYRWVILRDVIC-UHFFFAOYSA-N
XLogP2.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol (CID 107230009) is [4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol is CCn1nc(C)c(C(C)NCc2ccc(CO)cc2)c1C.
What is the InChIKey of [4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol?
The InChIKey is VGHYRWVILRDVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-20-14(4)17(13(3)19-20)12(2)18-10-15-6-8-16(11-21)9-7-15/h6-9,12,18,21H,5,10-11H2,1-4H3.
What are the key properties of [4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol?
[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol has a molecular weight of 287.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).