1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole

C16H19N5O — CID 72926111

IUPAC1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole
SMILESc1cc(-c2ccc(-c3cn(CC4CCCCC4)nn3)o2)[nH]n1
InChIInChI=1S/C16H19N5O/c1-2-4-12(5-3-1)10-21-11-14(19-20-21)16-7-6-15(22-16)13-8-9-17-18-13/h6-9,11-12H,1-5,10H2,(H,17,18)
InChIKeyYHYOOCBSERZQJQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.51
Rot. Bonds4

About 1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole

1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole (PubChem CID 72926111) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole
PubChem CID72926111
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole
SMILESc1cc(-c2ccc(-c3cn(CC4CCCCC4)nn3)o2)[nH]n1
InChIInChI=1S/C16H19N5O/c1-2-4-12(5-3-1)10-21-11-14(19-20-21)16-7-6-15(22-16)13-8-9-17-18-13/h6-9,11-12H,1-5,10H2,(H,17,18)
InChIKeyYHYOOCBSERZQJQ-UHFFFAOYSA-N
XLogP3.51
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole?
The IUPAC name of 1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole (CID 72926111) is 1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole is c1cc(-c2ccc(-c3cn(CC4CCCCC4)nn3)o2)[nH]n1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole?
The InChIKey is YHYOOCBSERZQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-4-12(5-3-1)10-21-11-14(19-20-21)16-7-6-15(22-16)13-8-9-17-18-13/h6-9,11-12H,1-5,10H2,(H,17,18).
What are the key properties of 1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole?
1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole has a molecular weight of 297.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazole is sourced from PubChem (CID 72926111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).