1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole

C10H15N5 — CID 171763187

IUPAC1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole
SMILESCCc1nn(C)c(C)c1Cn1ccnn1
InChIInChI=1S/C10H15N5/c1-4-10-9(8(2)14(3)12-10)7-15-6-5-11-13-15/h5-6H,4,7H2,1-3H3
InChIKeyZQPCBARDLLRIED-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.93
Rot. Bonds3

About 1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole

1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole (PubChem CID 171763187) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole.

Molecular Properties

Compound Name1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole
PubChem CID171763187
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole
SMILESCCc1nn(C)c(C)c1Cn1ccnn1
InChIInChI=1S/C10H15N5/c1-4-10-9(8(2)14(3)12-10)7-15-6-5-11-13-15/h5-6H,4,7H2,1-3H3
InChIKeyZQPCBARDLLRIED-UHFFFAOYSA-N
XLogP0.93
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole?
The IUPAC name of 1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole (CID 171763187) is 1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole.
What is the SMILES notation for 1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole?
The canonical SMILES for 1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole is CCc1nn(C)c(C)c1Cn1ccnn1.
What is the InChIKey of 1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole?
The InChIKey is ZQPCBARDLLRIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-4-10-9(8(2)14(3)12-10)7-15-6-5-11-13-15/h5-6H,4,7H2,1-3H3.
What are the key properties of 1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole?
1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole has a molecular weight of 205.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]triazole is sourced from PubChem (CID 171763187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).