4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole

C18H19N7 — CID 97127587

IUPAC4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole
SMILESCCn1cc(-c2cn([C@H](Cn3ccnc3)c3ccccc3)nn2)cn1
InChIInChI=1S/C18H19N7/c1-2-24-11-16(10-20-24)17-12-25(22-21-17)18(13-23-9-8-19-14-23)15-6-4-3-5-7-15/h3-12,14,18H,2,13H2,1H3/t18-/m1/s1
InChIKeyCAEWFZGEFOIXEP-GOSISDBHSA-N
MW333.40 g/mol
LogP2.65
Rot. Bonds6

About 4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole

4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole (PubChem CID 97127587) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole
PubChem CID97127587
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole
SMILESCCn1cc(-c2cn([C@H](Cn3ccnc3)c3ccccc3)nn2)cn1
InChIInChI=1S/C18H19N7/c1-2-24-11-16(10-20-24)17-12-25(22-21-17)18(13-23-9-8-19-14-23)15-6-4-3-5-7-15/h3-12,14,18H,2,13H2,1H3/t18-/m1/s1
InChIKeyCAEWFZGEFOIXEP-GOSISDBHSA-N
XLogP2.65
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole
CID 95203761
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 19584056
3-imidazol-1-yl-2-phenylpropan-1-amine
CID 64538242
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine
CID 167807146
1-(2-heptylsulfanyl-2-phenylethyl)imidazole
CID 21402516
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 96570859
5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 46978813
1-ethyl-4-(1-pyrazol-1-ylpropyl)pyrazole
CID 141401670

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole (CID 97127587) is 4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole is CCn1cc(-c2cn([C@H](Cn3ccnc3)c3ccccc3)nn2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole?
The InChIKey is CAEWFZGEFOIXEP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N7/c1-2-24-11-16(10-20-24)17-12-25(22-21-17)18(13-23-9-8-19-14-23)15-6-4-3-5-7-15/h3-12,14,18H,2,13H2,1H3/t18-/m1/s1.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole?
4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole has a molecular weight of 333.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-1-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole is sourced from PubChem (CID 97127587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).