2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine

C8H11N5 — CID 123666321

IUPAC2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine
SMILESC=C/N=C(\N=C)Nc1ccnn1C
InChIInChI=1S/C8H11N5/c1-4-10-8(9-2)12-7-5-6-11-13(7)3/h4-6H,1-2H2,3H3,(H,10,12)
InChIKeyATBGIJOXFRTILL-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.03
Rot. Bonds2

About 2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine

2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine (PubChem CID 123666321) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine.

Molecular Properties

Compound Name2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine
PubChem CID123666321
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine
SMILESC=C/N=C(\N=C)Nc1ccnn1C
InChIInChI=1S/C8H11N5/c1-4-10-8(9-2)12-7-5-6-11-13(7)3/h4-6H,1-2H2,3H3,(H,10,12)
InChIKeyATBGIJOXFRTILL-UHFFFAOYSA-N
XLogP1.03
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydro-1H-imidazo(1,2-b)pyrazole
CID 242471
2-Methyl-2H-pyrazol-3-ylamine
CID 136927
1-Methyl-3-aminopyrazole
CID 137254
1-Ethyl-1H-pyrazol-5-amine
CID 337310
1-(propan-2-yl)-1H-pyrazol-5-amine
CID 1090341
1-ethyl-1H-pyrazol-3-amine
CID 12198109
1-(butan-2-yl)-1H-pyrazol-5-amine
CID 3762483
1-(2-methylpropyl)-1H-pyrazol-5-amine
CID 4962021
2-Piperidin-4-yl-2H-pyrazol-3-ylamine
CID 649859
N-Propyl-pyrazole-1-carboxamidine; hydrochloride
CID 44326871
N'-propylpyrazole-1-carboximidamide;hydrochloride
CID 45264946
1-cyclopentyl-1H-pyrazol-5-amine
CID 1079792

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine?
The IUPAC name of 2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine (CID 123666321) is 2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine.
What is the SMILES notation for 2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine?
The canonical SMILES for 2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine is C=C/N=C(\N=C)Nc1ccnn1C.
What is the InChIKey of 2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine?
The InChIKey is ATBGIJOXFRTILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-4-10-8(9-2)12-7-5-6-11-13(7)3/h4-6H,1-2H2,3H3,(H,10,12).
What are the key properties of 2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine?
2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine has a molecular weight of 177.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methylidene-3-(2-methylpyrazol-3-yl)guanidine is sourced from PubChem (CID 123666321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).