5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine

C11H23N5 — CID 66011559

IUPAC5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine
SMILESCNCCN(C)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C11H23N5/c1-8(2)10-9(12)11(16(5)14-10)15(4)7-6-13-3/h8,13H,6-7,12H2,1-5H3
InChIKeyKIHCTNVTZUDOKZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.78
Rot. Bonds5

About 5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine

5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66011559) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66011559
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine
SMILESCNCCN(C)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C11H23N5/c1-8(2)10-9(12)11(16(5)14-10)15(4)7-6-13-3/h8,13H,6-7,12H2,1-5H3
InChIKeyKIHCTNVTZUDOKZ-UHFFFAOYSA-N
XLogP0.78
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine (CID 66011559) is 5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine is CNCCN(C)c1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is KIHCTNVTZUDOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-8(2)10-9(12)11(16(5)14-10)15(4)7-6-13-3/h8,13H,6-7,12H2,1-5H3.
What are the key properties of 5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine?
5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 225.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66011559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).