2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine

C8H14N6 — CID 103659097

IUPAC2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine
SMILESCC(C)n1cc(/C=N/N=C(N)N)cn1
InChIInChI=1S/C8H14N6/c1-6(2)14-5-7(4-12-14)3-11-13-8(9)10/h3-6H,1-2H3,(H4,9,10,13)/b11-3+
InChIKeyNKURJAHXRRHDIF-QDEBKDIKSA-N
MW194.24 g/mol
LogP0.07
Rot. Bonds3

About 2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine

2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine (PubChem CID 103659097) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine
PubChem CID103659097
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine
SMILESCC(C)n1cc(/C=N/N=C(N)N)cn1
InChIInChI=1S/C8H14N6/c1-6(2)14-5-7(4-12-14)3-11-13-8(9)10/h3-6H,1-2H3,(H4,9,10,13)/b11-3+
InChIKeyNKURJAHXRRHDIF-QDEBKDIKSA-N
XLogP0.07
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine (CID 103659097) is 2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine is CC(C)n1cc(/C=N/N=C(N)N)cn1.
What is the InChIKey of 2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine?
The InChIKey is NKURJAHXRRHDIF-QDEBKDIKSA-N. The full InChI is InChI=1S/C8H14N6/c1-6(2)14-5-7(4-12-14)3-11-13-8(9)10/h3-6H,1-2H3,(H4,9,10,13)/b11-3+.
What are the key properties of 2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine?
2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine has a molecular weight of 194.24 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-propan-2-ylpyrazol-4-yl)methylideneamino]guanidine is sourced from PubChem (CID 103659097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).