3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole

C16H17N5O — CID 75522065

IUPAC3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole
SMILESCn1c(COc2ccc(-n3cccn3)cc2)nnc1C1CC1
InChIInChI=1S/C16H17N5O/c1-20-15(18-19-16(20)12-3-4-12)11-22-14-7-5-13(6-8-14)21-10-2-9-17-21/h2,5-10,12H,3-4,11H2,1H3
InChIKeyLGOIRICKCRHZIN-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.46
Rot. Bonds5

About 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole

3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole (PubChem CID 75522065) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole
PubChem CID75522065
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole
SMILESCn1c(COc2ccc(-n3cccn3)cc2)nnc1C1CC1
InChIInChI=1S/C16H17N5O/c1-20-15(18-19-16(20)12-3-4-12)11-22-14-7-5-13(6-8-14)21-10-2-9-17-21/h2,5-10,12H,3-4,11H2,1H3
InChIKeyLGOIRICKCRHZIN-UHFFFAOYSA-N
XLogP2.46
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole (CID 75522065) is 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole is Cn1c(COc2ccc(-n3cccn3)cc2)nnc1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole?
The InChIKey is LGOIRICKCRHZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-20-15(18-19-16(20)12-3-4-12)11-22-14-7-5-13(6-8-14)21-10-2-9-17-21/h2,5-10,12H,3-4,11H2,1H3.
What are the key properties of 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole?
3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole has a molecular weight of 295.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole is sourced from PubChem (CID 75522065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).