3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine

C10H16N4 — CID 131231967

IUPAC3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NC/C=C/C2CC2)n1
InChIInChI=1S/C10H16N4/c1-14-7-9(11)10(13-14)12-6-2-3-8-4-5-8/h2-3,7-8H,4-6,11H2,1H3,(H,12,13)/b3-2+
InChIKeyWTKNLINAFXXOBH-NSCUHMNNSA-N
MW192.27 g/mol
LogP1.38
Rot. Bonds4

About 3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine

3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine (PubChem CID 131231967) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine
PubChem CID131231967
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NC/C=C/C2CC2)n1
InChIInChI=1S/C10H16N4/c1-14-7-9(11)10(13-14)12-6-2-3-8-4-5-8/h2-3,7-8H,4-6,11H2,1H3,(H,12,13)/b3-2+
InChIKeyWTKNLINAFXXOBH-NSCUHMNNSA-N
XLogP1.38
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine (CID 131231967) is 3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine is Cn1cc(N)c(NC/C=C/C2CC2)n1.
What is the InChIKey of 3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine?
The InChIKey is WTKNLINAFXXOBH-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16N4/c1-14-7-9(11)10(13-14)12-6-2-3-8-4-5-8/h2-3,7-8H,4-6,11H2,1H3,(H,12,13)/b3-2+.
What are the key properties of 3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine?
3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine has a molecular weight of 192.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 131231967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).