4-methyl-1-prop-2-enylpyrazol-5-amine

C7H11N3 — CID 70487045

IUPAC4-methyl-1-prop-2-enylpyrazol-5-amine
SMILESC=CCn1ncc(C)c1N
InChIInChI=1S/C7H11N3/c1-3-4-10-7(8)6(2)5-9-10/h3,5H,1,4,8H2,2H3
InChIKeyZNKMEUGIGJBKLB-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.96
Rot. Bonds2

About 4-methyl-1-prop-2-enylpyrazol-5-amine

4-methyl-1-prop-2-enylpyrazol-5-amine (PubChem CID 70487045) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 4-methyl-1-prop-2-enylpyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-prop-2-enylpyrazol-5-amine
PubChem CID70487045
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name4-methyl-1-prop-2-enylpyrazol-5-amine
SMILESC=CCn1ncc(C)c1N
InChIInChI=1S/C7H11N3/c1-3-4-10-7(8)6(2)5-9-10/h3,5H,1,4,8H2,2H3
InChIKeyZNKMEUGIGJBKLB-UHFFFAOYSA-N
XLogP0.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-prop-2-enylpyrazol-5-amine?
The IUPAC name of 4-methyl-1-prop-2-enylpyrazol-5-amine (CID 70487045) is 4-methyl-1-prop-2-enylpyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-prop-2-enylpyrazol-5-amine?
The canonical SMILES for 4-methyl-1-prop-2-enylpyrazol-5-amine is C=CCn1ncc(C)c1N.
What is the InChIKey of 4-methyl-1-prop-2-enylpyrazol-5-amine?
The InChIKey is ZNKMEUGIGJBKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-4-10-7(8)6(2)5-9-10/h3,5H,1,4,8H2,2H3.
What are the key properties of 4-methyl-1-prop-2-enylpyrazol-5-amine?
4-methyl-1-prop-2-enylpyrazol-5-amine has a molecular weight of 137.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-enylpyrazol-5-amine is sourced from PubChem (CID 70487045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).