2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol

C19H30N6O — CID 28730151

IUPAC2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C19H30N6O/c1-15-17(13-24(21-15)10-11-26)12-23-8-6-18(7-9-23)25-14-19(20-22-25)16-4-2-3-5-16/h13-14,16,18,26H,2-12H2,1H3
InChIKeyQGWYJCROIZRDHH-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.27
Rot. Bonds6

About 2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol

2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol (PubChem CID 28730151) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
PubChem CID28730151
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C19H30N6O/c1-15-17(13-24(21-15)10-11-26)12-23-8-6-18(7-9-23)25-14-19(20-22-25)16-4-2-3-5-16/h13-14,16,18,26H,2-12H2,1H3
InChIKeyQGWYJCROIZRDHH-UHFFFAOYSA-N
XLogP2.27
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol (CID 28730151) is 2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN1CCC(n2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of 2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
The InChIKey is QGWYJCROIZRDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-15-17(13-24(21-15)10-11-26)12-23-8-6-18(7-9-23)25-14-19(20-22-25)16-4-2-3-5-16/h13-14,16,18,26H,2-12H2,1H3.
What are the key properties of 2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol has a molecular weight of 358.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 28730151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).