4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole

C17H19N5O — CID 97126547

IUPAC4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole
SMILESc1ccc(-n2cc(CCn3cc([C@H]4CCOC4)nn3)cn2)cc1
InChIInChI=1S/C17H19N5O/c1-2-4-16(5-3-1)22-11-14(10-18-22)6-8-21-12-17(19-20-21)15-7-9-23-13-15/h1-5,10-12,15H,6-9,13H2/t15-/m0/s1
InChIKeyOUCVNFUJOJSCHY-HNNXBMFYSA-N
MW309.37 g/mol
LogP2.21
Rot. Bonds5

About 4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole

4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole (PubChem CID 97126547) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole.

Molecular Properties

Compound Name4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole
PubChem CID97126547
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole
SMILESc1ccc(-n2cc(CCn3cc([C@H]4CCOC4)nn3)cn2)cc1
InChIInChI=1S/C17H19N5O/c1-2-4-16(5-3-1)22-11-14(10-18-22)6-8-21-12-17(19-20-21)15-7-9-23-13-15/h1-5,10-12,15H,6-9,13H2/t15-/m0/s1
InChIKeyOUCVNFUJOJSCHY-HNNXBMFYSA-N
XLogP2.21
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole
CID 167762154
2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole
CID 97154603
5-chloro-2-methyl-3-[2-[4-(oxolan-3-yl)triazol-1-yl]ethyl]-1H-indole
CID 72857150
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
1-phenyl-4-propylpyrazole
CID 12902534
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199
3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole
CID 97138633
4-(oxan-4-ylmethylsulfinylmethyl)-1-phenylpyrazole
CID 86781044
2-[4-[(1-phenylpyrazol-4-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982395
1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-[(3R)-oxolan-3-yl]triazole
CID 97125291
2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole
CID 72860324
2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline
CID 97143559

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole?
The IUPAC name of 4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole (CID 97126547) is 4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole.
What is the SMILES notation for 4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole?
The canonical SMILES for 4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole is c1ccc(-n2cc(CCn3cc([C@H]4CCOC4)nn3)cn2)cc1.
What is the InChIKey of 4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole?
The InChIKey is OUCVNFUJOJSCHY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-4-16(5-3-1)22-11-14(10-18-22)6-8-21-12-17(19-20-21)15-7-9-23-13-15/h1-5,10-12,15H,6-9,13H2/t15-/m0/s1.
What are the key properties of 4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole?
4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole has a molecular weight of 309.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole is sourced from PubChem (CID 97126547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).