2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol

C19H25N5O — CID 164699442

IUPAC2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)n1nccc1-c1nc(CCCc2ccccc2)nn1CCO
InChIInChI=1S/C19H25N5O/c1-15(2)24-17(11-12-20-24)19-21-18(22-23(19)13-14-25)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,15,25H,6,9-10,13-14H2,1-2H3
InChIKeyKDRLADSTYRPEJI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.89
Rot. Bonds8

About 2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol

2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 164699442) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol
PubChem CID164699442
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)n1nccc1-c1nc(CCCc2ccccc2)nn1CCO
InChIInChI=1S/C19H25N5O/c1-15(2)24-17(11-12-20-24)19-21-18(22-23(19)13-14-25)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,15,25H,6,9-10,13-14H2,1-2H3
InChIKeyKDRLADSTYRPEJI-UHFFFAOYSA-N
XLogP2.89
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol with MolForge

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Related Compounds

3-(2-methylbutyl)-5-(2-propan-2-ylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)-1,2,4-triazole
CID 163319227
5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930
2-(5-phenylpentan-2-yl)pyrazol-3-amine
CID 141003907
4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine
CID 72871904
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945
2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide
CID 169421466
[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol
CID 43647400
2-[3-butyl-5-(indol-1-ylmethyl)-1,2,4-triazol-1-yl]ethanol
CID 131903996
1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol
CID 114198081
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 90518057
2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one
CID 72907781
3-methyl-1-(3-phenylpropyl)-1,2,4-triazole
CID 58258708

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol (CID 164699442) is 2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol is CC(C)n1nccc1-c1nc(CCCc2ccccc2)nn1CCO.
What is the InChIKey of 2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is KDRLADSTYRPEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15(2)24-17(11-12-20-24)19-21-18(22-23(19)13-14-25)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,15,25H,6,9-10,13-14H2,1-2H3.
What are the key properties of 2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol?
2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 339.44 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 164699442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).