2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol

C16H27N7O — CID 51104580

IUPAC2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCCCCn1nnnc1CN1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C16H27N7O/c1-2-3-8-23-16(18-19-20-23)13-21-9-5-14(6-10-21)15-4-7-17-22(15)11-12-24/h4,7,14,24H,2-3,5-6,8-13H2,1H3
InChIKeyALVITRWMZSMVMU-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.04
Rot. Bonds8

About 2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104580) has the molecular formula C16H27N7O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104580
Molecular FormulaC16H27N7O
Molecular Weight333.44 g/mol
Exact Mass333.23
IUPAC Name2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCCCCn1nnnc1CN1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C16H27N7O/c1-2-3-8-23-16(18-19-20-23)13-21-9-5-14(6-10-21)15-4-7-17-22(15)11-12-24/h4,7,14,24H,2-3,5-6,8-13H2,1H3
InChIKeyALVITRWMZSMVMU-UHFFFAOYSA-N
XLogP1.04
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104580) is 2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is CCCCn1nnnc1CN1CCC(c2ccnn2CCO)CC1.
What is the InChIKey of 2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is ALVITRWMZSMVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7O/c1-2-3-8-23-16(18-19-20-23)13-21-9-5-14(6-10-21)15-4-7-17-22(15)11-12-24/h4,7,14,24H,2-3,5-6,8-13H2,1H3.
What are the key properties of 2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 333.44 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).