1-prop-2-enylpyrazole-4,5-diamine

C6H10N4 — CID 67655592

IUPAC1-prop-2-enylpyrazole-4,5-diamine
SMILESC=CCn1ncc(N)c1N
InChIInChI=1S/C6H10N4/c1-2-3-10-6(8)5(7)4-9-10/h2,4H,1,3,7-8H2
InChIKeyBYSSJXTVLYTBQO-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.23
Rot. Bonds2

About 1-prop-2-enylpyrazole-4,5-diamine

1-prop-2-enylpyrazole-4,5-diamine (PubChem CID 67655592) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-prop-2-enylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-prop-2-enylpyrazole-4,5-diamine
PubChem CID67655592
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-prop-2-enylpyrazole-4,5-diamine
SMILESC=CCn1ncc(N)c1N
InChIInChI=1S/C6H10N4/c1-2-3-10-6(8)5(7)4-9-10/h2,4H,1,3,7-8H2
InChIKeyBYSSJXTVLYTBQO-UHFFFAOYSA-N
XLogP0.23
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoprop-2-enyl)pyrazole-4,5-diamine
CID 21018096
1-(3-aminopropyl)pyrazole-4,5-diamine
CID 22227390
1-prop-2-enylpyrazole-3,5-diamine
CID 175870952
4,5-dibromo-2-prop-2-enylpyridazin-3-one
CID 10541785
1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
CID 22227389
2-prop-2-enylphthalazin-1-one
CID 18989461
4-(4,5-diaminopyrazol-1-yl)butanamide
CID 58913950
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
CID 58980398
1-(3-methoxybutyl)pyrazole-4,5-diamine
CID 58913917
1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine
CID 131351802
4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole
CID 130645143
1-(4,5-diaminopyrazol-1-yl)hexan-2-ol
CID 58980428

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpyrazole-4,5-diamine?
The IUPAC name of 1-prop-2-enylpyrazole-4,5-diamine (CID 67655592) is 1-prop-2-enylpyrazole-4,5-diamine.
What is the SMILES notation for 1-prop-2-enylpyrazole-4,5-diamine?
The canonical SMILES for 1-prop-2-enylpyrazole-4,5-diamine is C=CCn1ncc(N)c1N.
What is the InChIKey of 1-prop-2-enylpyrazole-4,5-diamine?
The InChIKey is BYSSJXTVLYTBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-3-10-6(8)5(7)4-9-10/h2,4H,1,3,7-8H2.
What are the key properties of 1-prop-2-enylpyrazole-4,5-diamine?
1-prop-2-enylpyrazole-4,5-diamine has a molecular weight of 138.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyrazole-4,5-diamine is sourced from PubChem (CID 67655592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).