3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine

C8H16N4 — CID 67760233

IUPAC3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine
SMILESCNCc1nn(C(C)C)cc1N
InChIInChI=1S/C8H16N4/c1-6(2)12-5-7(9)8(11-12)4-10-3/h5-6,10H,4,9H2,1-3H3
InChIKeyHRQHGLVAHLRKLV-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.77
Rot. Bonds3

About 3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine

3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 67760233) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine
PubChem CID67760233
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine
SMILESCNCc1nn(C(C)C)cc1N
InChIInChI=1S/C8H16N4/c1-6(2)12-5-7(9)8(11-12)4-10-3/h5-6,10H,4,9H2,1-3H3
InChIKeyHRQHGLVAHLRKLV-UHFFFAOYSA-N
XLogP0.77
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine (CID 67760233) is 3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine is CNCc1nn(C(C)C)cc1N.
What is the InChIKey of 3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is HRQHGLVAHLRKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)12-5-7(9)8(11-12)4-10-3/h5-6,10H,4,9H2,1-3H3.
What are the key properties of 3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine?
3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 168.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 67760233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).