2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol

C21H25N3O — CID 25274451

IUPAC2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1cn[nH]c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N3O/c1-16(2)24(12-13-25)15-20-14-22-23-21(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14,16,25H,12-13,15H2,1-2H3,(H,22,23)
InChIKeyBGWWUNRXLKGRPV-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.95
Rot. Bonds7

About 2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol

2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol (PubChem CID 25274451) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
PubChem CID25274451
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1cn[nH]c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N3O/c1-16(2)24(12-13-25)15-20-14-22-23-21(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14,16,25H,12-13,15H2,1-2H3,(H,22,23)
InChIKeyBGWWUNRXLKGRPV-UHFFFAOYSA-N
XLogP3.95
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol (CID 25274451) is 2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)Cc1cn[nH]c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol?
The InChIKey is BGWWUNRXLKGRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16(2)24(12-13-25)15-20-14-22-23-21(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14,16,25H,12-13,15H2,1-2H3,(H,22,23).
What are the key properties of 2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol?
2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol has a molecular weight of 335.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 25274451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).