N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine

C11H17N5 — CID 43282058

IUPACN-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1-n1cccn1
InChIInChI=1S/C11H17N5/c1-4-12-8-10-9(2)14-15(3)11(10)16-7-5-6-13-16/h5-7,12H,4,8H2,1-3H3
InChIKeyUPXPQMUSMZCVEC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.02
Rot. Bonds4

About N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine

N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43282058) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID43282058
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1-n1cccn1
InChIInChI=1S/C11H17N5/c1-4-12-8-10-9(2)14-15(3)11(10)16-7-5-6-13-16/h5-7,12H,4,8H2,1-3H3
InChIKeyUPXPQMUSMZCVEC-UHFFFAOYSA-N
XLogP1.02
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine (CID 43282058) is N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine is CCNCc1c(C)nn(C)c1-n1cccn1.
What is the InChIKey of N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is UPXPQMUSMZCVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-12-8-10-9(2)14-15(3)11(10)16-7-5-6-13-16/h5-7,12H,4,8H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine?
N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43282058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).