5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole

C13H19N5 — CID 66122617

IUPAC5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole
SMILESCCn1nc(C)cc1-c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C13H19N5/c1-3-18-11(8-9(2)17-18)13-14-12(15-16-13)10-6-4-5-7-10/h8,10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyGFWWZDWJJQZADV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.65
Rot. Bonds3

About 5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole

5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole (PubChem CID 66122617) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole
PubChem CID66122617
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole
SMILESCCn1nc(C)cc1-c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C13H19N5/c1-3-18-11(8-9(2)17-18)13-14-12(15-16-13)10-6-4-5-7-10/h8,10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyGFWWZDWJJQZADV-UHFFFAOYSA-N
XLogP2.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole (CID 66122617) is 5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole is CCn1nc(C)cc1-c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole?
The InChIKey is GFWWZDWJJQZADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-18-11(8-9(2)17-18)13-14-12(15-16-13)10-6-4-5-7-10/h8,10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole?
5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole has a molecular weight of 245.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 66122617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).