[1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine

C12H22N4O — CID 63756151

IUPAC[1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine
SMILESCc1nn(C)c(OC2CCN(C)CC2)c1CN
InChIInChI=1S/C12H22N4O/c1-9-11(8-13)12(16(3)14-9)17-10-4-6-15(2)7-5-10/h10H,4-8,13H2,1-3H3
InChIKeyDXUNEZAGWPIOGU-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.66
Rot. Bonds3

About [1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine

[1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine (PubChem CID 63756151) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine
PubChem CID63756151
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine
SMILESCc1nn(C)c(OC2CCN(C)CC2)c1CN
InChIInChI=1S/C12H22N4O/c1-9-11(8-13)12(16(3)14-9)17-10-4-6-15(2)7-5-10/h10H,4-8,13H2,1-3H3
InChIKeyDXUNEZAGWPIOGU-UHFFFAOYSA-N
XLogP0.66
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine?
The IUPAC name of [1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine (CID 63756151) is [1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine.
What is the SMILES notation for [1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine?
The canonical SMILES for [1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine is Cc1nn(C)c(OC2CCN(C)CC2)c1CN.
What is the InChIKey of [1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine?
The InChIKey is DXUNEZAGWPIOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-11(8-13)12(16(3)14-9)17-10-4-6-15(2)7-5-10/h10H,4-8,13H2,1-3H3.
What are the key properties of [1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine?
[1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazol-4-yl]methanamine is sourced from PubChem (CID 63756151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).