1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine

C7H13N5 — CID 123211368

IUPAC1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine
SMILESC/N=C(\NC)Nc1ccnn1C
InChIInChI=1S/C7H13N5/c1-8-7(9-2)11-6-4-5-10-12(6)3/h4-5H,1-3H3,(H2,8,9,11)
InChIKeyTZGJZLXBGNJFJY-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.04
Rot. Bonds1

About 1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine

1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine (PubChem CID 123211368) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine
PubChem CID123211368
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine
SMILESC/N=C(\NC)Nc1ccnn1C
InChIInChI=1S/C7H13N5/c1-8-7(9-2)11-6-4-5-10-12(6)3/h4-5H,1-3H3,(H2,8,9,11)
InChIKeyTZGJZLXBGNJFJY-UHFFFAOYSA-N
XLogP0.04
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
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
Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one
CID 135399047
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

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine (CID 123211368) is 1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine is C/N=C(\NC)Nc1ccnn1C.
What is the InChIKey of 1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine?
The InChIKey is TZGJZLXBGNJFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-8-7(9-2)11-6-4-5-10-12(6)3/h4-5H,1-3H3,(H2,8,9,11).
What are the key properties of 1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine?
1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine has a molecular weight of 167.22 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methylpyrazol-3-yl)guanidine is sourced from PubChem (CID 123211368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).