[3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol

C19H25FN4O — CID 126732906

IUPAC[3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1c(-c2ccc(F)cc2)nnn1C1CCN(C2CCCCC2)C1
InChIInChI=1S/C19H25FN4O/c20-15-8-6-14(7-9-15)19-18(13-25)24(22-21-19)17-10-11-23(12-17)16-4-2-1-3-5-16/h6-9,16-17,25H,1-5,10-13H2
InChIKeyJRRXZXXKCDYSTM-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.16
Rot. Bonds4

About [3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol

[3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol (PubChem CID 126732906) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is [3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol
PubChem CID126732906
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name[3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1c(-c2ccc(F)cc2)nnn1C1CCN(C2CCCCC2)C1
InChIInChI=1S/C19H25FN4O/c20-15-8-6-14(7-9-15)19-18(13-25)24(22-21-19)17-10-11-23(12-17)16-4-2-1-3-5-16/h6-9,16-17,25H,1-5,10-13H2
InChIKeyJRRXZXXKCDYSTM-UHFFFAOYSA-N
XLogP3.16
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol (CID 126732906) is [3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol is OCc1c(-c2ccc(F)cc2)nnn1C1CCN(C2CCCCC2)C1.
What is the InChIKey of [3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is JRRXZXXKCDYSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c20-15-8-6-14(7-9-15)19-18(13-25)24(22-21-19)17-10-11-23(12-17)16-4-2-1-3-5-16/h6-9,16-17,25H,1-5,10-13H2.
What are the key properties of [3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol?
[3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol has a molecular weight of 344.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 126732906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).