1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole

C15H20N6 — CID 138377854

IUPAC1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole
SMILESCCCCCc1nc(-c2ccc[nH]2)n(-c2ccnn2C)n1
InChIInChI=1S/C15H20N6/c1-3-4-5-8-13-18-15(12-7-6-10-16-12)21(19-13)14-9-11-17-20(14)2/h6-7,9-11,16H,3-5,8H2,1-2H3
InChIKeyNBPJACCPQOILBB-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.73
Rot. Bonds6

About 1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole

1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole (PubChem CID 138377854) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole
PubChem CID138377854
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole
SMILESCCCCCc1nc(-c2ccc[nH]2)n(-c2ccnn2C)n1
InChIInChI=1S/C15H20N6/c1-3-4-5-8-13-18-15(12-7-6-10-16-12)21(19-13)14-9-11-17-20(14)2/h6-7,9-11,16H,3-5,8H2,1-2H3
InChIKeyNBPJACCPQOILBB-UHFFFAOYSA-N
XLogP2.73
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpyrazol-3-yl)-3-pentyl-1,2,4-triazole
CID 138385787
1-methyl-5-(1H-pyrrol-2-yl)pyrazole
CID 137013321
4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 136631027
2-(5-hexylthiophen-2-yl)-1H-pyrrole
CID 129149292
5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341932
2-(5-pentyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine
CID 155499928
(2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol
CID 131921776
2-henicosyl-1H-pyrrole
CID 173176320
2-hexacosyl-1H-pyrrole
CID 173177329
butane;1,5-dimethylpyrazole;ethane
CID 142280941
5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole
CID 138383814
2-butylpyrazolo[1,5-a][1,3,5]triazine
CID 22115514

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole (CID 138377854) is 1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole is CCCCCc1nc(-c2ccc[nH]2)n(-c2ccnn2C)n1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole?
The InChIKey is NBPJACCPQOILBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-3-4-5-8-13-18-15(12-7-6-10-16-12)21(19-13)14-9-11-17-20(14)2/h6-7,9-11,16H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole?
1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole has a molecular weight of 284.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole is sourced from PubChem (CID 138377854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).