2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol

C13H19N5O — CID 64778669

IUPAC2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccn(C3CCCC3)n2)nn1
InChIInChI=1S/C13H19N5O/c19-8-6-11-9-17(16-14-11)10-12-5-7-18(15-12)13-3-1-2-4-13/h5,7,9,13,19H,1-4,6,8,10H2
InChIKeyNEFUJQCMXAFNGB-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.17
Rot. Bonds5

About 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol

2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol (PubChem CID 64778669) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
PubChem CID64778669
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccn(C3CCCC3)n2)nn1
InChIInChI=1S/C13H19N5O/c19-8-6-11-9-17(16-14-11)10-12-5-7-18(15-12)13-3-1-2-4-13/h5,7,9,13,19H,1-4,6,8,10H2
InChIKeyNEFUJQCMXAFNGB-UHFFFAOYSA-N
XLogP1.17
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol with MolForge

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Related Compounds

4-(chloromethyl)-1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole
CID 64778866
2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine
CID 64779259
4-(1-bromoethyl)-1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole
CID 81448654
[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol
CID 146121632
methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate
CID 103107476
2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 62887635
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64777495
3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole
CID 64777851
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol (CID 64778669) is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol is OCCc1cn(Cc2ccn(C3CCCC3)n2)nn1.
What is the InChIKey of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is NEFUJQCMXAFNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c19-8-6-11-9-17(16-14-11)10-12-5-7-18(15-12)13-3-1-2-4-13/h5,7,9,13,19H,1-4,6,8,10H2.
What are the key properties of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol?
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 261.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 64778669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).