2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C17H23N3O2 — CID 47611252

IUPAC2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCOc2ccccc21
InChIInChI=1S/C17H23N3O2/c1-12-15(13(2)20(19-12)8-9-21)11-18-16-7-10-22-17-6-4-3-5-14(16)17/h3-6,16,18,21H,7-11H2,1-2H3
InChIKeyDENQYOUTVNVKRN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.11
Rot. Bonds5

About 2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 47611252) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID47611252
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCOc2ccccc21
InChIInChI=1S/C17H23N3O2/c1-12-15(13(2)20(19-12)8-9-21)11-18-16-7-10-22-17-6-4-3-5-14(16)17/h3-6,16,18,21H,7-11H2,1-2H3
InChIKeyDENQYOUTVNVKRN-UHFFFAOYSA-N
XLogP2.11
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 47611252) is 2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC1CCOc2ccccc21.
What is the InChIKey of 2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is DENQYOUTVNVKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-15(13(2)20(19-12)8-9-21)11-18-16-7-10-22-17-6-4-3-5-14(16)17/h3-6,16,18,21H,7-11H2,1-2H3.
What are the key properties of 2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 301.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 47611252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).