2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol

C18H21N5O — CID 72844335

IUPAC2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1nc(C2CCCC2)nc1-c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H21N5O/c24-12-11-23-18(20-17(22-23)14-3-1-2-4-14)15-7-5-13(6-8-15)16-9-10-19-21-16/h5-10,14,24H,1-4,11-12H2,(H,19,21)
InChIKeyFPROGIGXGQFKFI-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.99
Rot. Bonds5

About 2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol

2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 72844335) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID72844335
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1nc(C2CCCC2)nc1-c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H21N5O/c24-12-11-23-18(20-17(22-23)14-3-1-2-4-14)15-7-5-13(6-8-15)16-9-10-19-21-16/h5-10,14,24H,1-4,11-12H2,(H,19,21)
InChIKeyFPROGIGXGQFKFI-UHFFFAOYSA-N
XLogP2.99
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol (CID 72844335) is 2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol is OCCn1nc(C2CCCC2)nc1-c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is FPROGIGXGQFKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-12-11-23-18(20-17(22-23)14-3-1-2-4-14)15-7-5-13(6-8-15)16-9-10-19-21-16/h5-10,14,24H,1-4,11-12H2,(H,19,21).
What are the key properties of 2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol?
2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 323.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopentyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72844335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).