(1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine

C11H20N4 — CID 28965238

IUPAC(1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(N2CCCCC2)c1CN
InChIInChI=1S/C11H20N4/c1-9-10(8-12)11(14(2)13-9)15-6-4-3-5-7-15/h3-8,12H2,1-2H3
InChIKeyCYAUVOSFOOETKA-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.18
Rot. Bonds2

About (1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine

(1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine (PubChem CID 28965238) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine
PubChem CID28965238
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(N2CCCCC2)c1CN
InChIInChI=1S/C11H20N4/c1-9-10(8-12)11(14(2)13-9)15-6-4-3-5-7-15/h3-8,12H2,1-2H3
InChIKeyCYAUVOSFOOETKA-UHFFFAOYSA-N
XLogP1.18
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine?
The IUPAC name of (1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine (CID 28965238) is (1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine?
The canonical SMILES for (1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine is Cc1nn(C)c(N2CCCCC2)c1CN.
What is the InChIKey of (1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine?
The InChIKey is CYAUVOSFOOETKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-10(8-12)11(14(2)13-9)15-6-4-3-5-7-15/h3-8,12H2,1-2H3.
What are the key properties of (1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine?
(1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-5-piperidin-1-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 28965238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).