1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole

C9H13N5 — CID 123634928

IUPAC1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole
SMILESCc1n[nH]c(C)c1CCn1ccnn1
InChIInChI=1S/C9H13N5/c1-7-9(8(2)12-11-7)3-5-14-6-4-10-13-14/h4,6H,3,5H2,1-2H3,(H,11,12)
InChIKeyZAWDQUDFKAUQRF-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.86
Rot. Bonds3

About 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole (PubChem CID 123634928) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole
PubChem CID123634928
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole
SMILESCc1n[nH]c(C)c1CCn1ccnn1
InChIInChI=1S/C9H13N5/c1-7-9(8(2)12-11-7)3-5-14-6-4-10-13-14/h4,6H,3,5H2,1-2H3,(H,11,12)
InChIKeyZAWDQUDFKAUQRF-UHFFFAOYSA-N
XLogP0.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106077187
1-[2-(1H-pyrazol-5-yl)ethyl]triazole
CID 173150615
4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole
CID 155429121
4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 131860379
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 106076996
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide
CID 64510061
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 77095899
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine
CID 131943796
N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 107042671
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpropan-1-amine
CID 118794146
3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid;hydrochloride
CID 47000616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole?
The IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole (CID 123634928) is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole?
The canonical SMILES for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole is Cc1n[nH]c(C)c1CCn1ccnn1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole?
The InChIKey is ZAWDQUDFKAUQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7-9(8(2)12-11-7)3-5-14-6-4-10-13-14/h4,6H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole?
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole has a molecular weight of 191.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]triazole is sourced from PubChem (CID 123634928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).