4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine

C9H15N3 — CID 122537698

IUPAC4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine
SMILESCC=C(C)c1c(C)nn(C)c1N
InChIInChI=1S/C9H15N3/c1-5-6(2)8-7(3)11-12(4)9(8)10/h5H,10H2,1-4H3
InChIKeyFPDANXDKQBMFKQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.73
Rot. Bonds1

About 4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine

4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine (PubChem CID 122537698) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine
PubChem CID122537698
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine
SMILESCC=C(C)c1c(C)nn(C)c1N
InChIInChI=1S/C9H15N3/c1-5-6(2)8-7(3)11-12(4)9(8)10/h5H,10H2,1-4H3
InChIKeyFPDANXDKQBMFKQ-UHFFFAOYSA-N
XLogP1.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine (CID 122537698) is 4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine is CC=C(C)c1c(C)nn(C)c1N.
What is the InChIKey of 4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine?
The InChIKey is FPDANXDKQBMFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-6(2)8-7(3)11-12(4)9(8)10/h5H,10H2,1-4H3.
What are the key properties of 4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine?
4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine has a molecular weight of 165.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-en-2-yl-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 122537698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).