2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol

C12H19N5O — CID 131923654

IUPAC2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol
SMILESCc1ccnn1CCc1ncnn1CC(C)(C)O
InChIInChI=1S/C12H19N5O/c1-10-4-6-14-16(10)7-5-11-13-9-15-17(11)8-12(2,3)18/h4,6,9,18H,5,7-8H2,1-3H3
InChIKeyPEZPTOGVMZSBNI-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.80
Rot. Bonds5

About 2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol

2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol (PubChem CID 131923654) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol
PubChem CID131923654
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol
SMILESCc1ccnn1CCc1ncnn1CC(C)(C)O
InChIInChI=1S/C12H19N5O/c1-10-4-6-14-16(10)7-5-11-13-9-15-17(11)8-12(2,3)18/h4,6,9,18H,5,7-8H2,1-3H3
InChIKeyPEZPTOGVMZSBNI-UHFFFAOYSA-N
XLogP0.80
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[(1-Propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 64293854
N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
CID 75509092
N-methyl-2-(3-methyl-1H-pyrazol-1-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]ethanamine
CID 91839558
4-[3-(1-ethyl-1H-pyrazol-5-yl)-1-methyl-1H-1,2,4-triazol-5-yl]morpholine
CID 121509247
1-(1-ethyl-1H-pyrazol-3-yl)-N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
CID 129615499
(2S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-triazol-1-yl]butan-2-ol
CID 129621827
2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propyl-1H-pyrazol-4-yl)-1H-1,2,4-triazol-3-yl]acetamide
CID 131892509
1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine
CID 138011687
2-{5-[1-(difluoromethyl)-1H-pyrazol-3-yl]-3-methyl-1H-1,2,4-triazol-1-yl}ethanol
CID 72923113
1-Propan-2-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-triazole
CID 113544604
1-Methyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-triazole
CID 115673001
1-(2-Methylpropyl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-triazole
CID 115969584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol (CID 131923654) is 2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol is Cc1ccnn1CCc1ncnn1CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol?
The InChIKey is PEZPTOGVMZSBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-10-4-6-14-16(10)7-5-11-13-9-15-17(11)8-12(2,3)18/h4,6,9,18H,5,7-8H2,1-3H3.
What are the key properties of 2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol?
2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol has a molecular weight of 249.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol is sourced from PubChem (CID 131923654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).