1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole

C17H19N5O — CID 170459331

IUPAC1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole
SMILESCOc1ccc(-c2cn(-c3ccn(C4CCCC4)n3)nn2)cc1
InChIInChI=1S/C17H19N5O/c1-23-15-8-6-13(7-9-15)16-12-22(20-18-16)17-10-11-21(19-17)14-4-2-3-5-14/h6-12,14H,2-5H2,1H3
InChIKeySYHGOJNCDVCRGL-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.25
Rot. Bonds4

About 1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole

1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole (PubChem CID 170459331) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole
PubChem CID170459331
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole
SMILESCOc1ccc(-c2cn(-c3ccn(C4CCCC4)n3)nn2)cc1
InChIInChI=1S/C17H19N5O/c1-23-15-8-6-13(7-9-15)16-12-22(20-18-16)17-10-11-21(19-17)14-4-2-3-5-14/h6-12,14H,2-5H2,1H3
InChIKeySYHGOJNCDVCRGL-UHFFFAOYSA-N
XLogP3.25
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole (CID 170459331) is 1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole is COc1ccc(-c2cn(-c3ccn(C4CCCC4)n3)nn2)cc1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole?
The InChIKey is SYHGOJNCDVCRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-23-15-8-6-13(7-9-15)16-12-22(20-18-16)17-10-11-21(19-17)14-4-2-3-5-14/h6-12,14H,2-5H2,1H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole?
1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole has a molecular weight of 309.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole is sourced from PubChem (CID 170459331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).