1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile

C12H18N4O — CID 63751659

IUPAC1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile
SMILESCc1nn(C)c(OC2CCN(C)CC2)c1C#N
InChIInChI=1S/C12H18N4O/c1-9-11(8-13)12(16(3)14-9)17-10-4-6-15(2)7-5-10/h10H,4-7H2,1-3H3
InChIKeyHEHOAUQZBLJLPI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.07
Rot. Bonds2

About 1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile

1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile (PubChem CID 63751659) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile
PubChem CID63751659
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile
SMILESCc1nn(C)c(OC2CCN(C)CC2)c1C#N
InChIInChI=1S/C12H18N4O/c1-9-11(8-13)12(16(3)14-9)17-10-4-6-15(2)7-5-10/h10H,4-7H2,1-3H3
InChIKeyHEHOAUQZBLJLPI-UHFFFAOYSA-N
XLogP1.07
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
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)oxypyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile (CID 63751659) is 1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile is Cc1nn(C)c(OC2CCN(C)CC2)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile?
The InChIKey is HEHOAUQZBLJLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-11(8-13)12(16(3)14-9)17-10-4-6-15(2)7-5-10/h10H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile?
1,3-dimethyl-5-(1-methylpiperidin-4-yl)oxypyrazole-4-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 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)oxypyrazole-4-carbonitrile is sourced from PubChem (CID 63751659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).