[1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol

C11H19N3O — CID 125453016

IUPAC[1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol
SMILESCc1cn[nH]c1[C@@H](CN)C1(CO)CCC1
InChIInChI=1S/C11H19N3O/c1-8-6-13-14-10(8)9(5-12)11(7-15)3-2-4-11/h6,9,15H,2-5,7,12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyONJOCLKONDPYLQ-SECBINFHSA-N
MW209.29 g/mol
LogP0.92
Rot. Bonds4

About [1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol

[1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol (PubChem CID 125453016) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol
PubChem CID125453016
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol
SMILESCc1cn[nH]c1[C@@H](CN)C1(CO)CCC1
InChIInChI=1S/C11H19N3O/c1-8-6-13-14-10(8)9(5-12)11(7-15)3-2-4-11/h6,9,15H,2-5,7,12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyONJOCLKONDPYLQ-SECBINFHSA-N
XLogP0.92
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol?
The IUPAC name of [1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol (CID 125453016) is [1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol is Cc1cn[nH]c1[C@@H](CN)C1(CO)CCC1.
What is the InChIKey of [1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol?
The InChIKey is ONJOCLKONDPYLQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-6-13-14-10(8)9(5-12)11(7-15)3-2-4-11/h6,9,15H,2-5,7,12H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of [1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol?
[1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol has a molecular weight of 209.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol is sourced from PubChem (CID 125453016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).