1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine

C7H13N5 — CID 130496867

IUPAC1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine
SMILESC/N=C(\N)Nc1cc(C)n(C)n1
InChIInChI=1S/C7H13N5/c1-5-4-6(11-12(5)3)10-7(8)9-2/h4H,1-3H3,(H3,8,9,10,11)
InChIKeyRJPCDPLXSWUNCD-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.08
Rot. Bonds1

About 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine

1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine (PubChem CID 130496867) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine
PubChem CID130496867
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine
SMILESC/N=C(\N)Nc1cc(C)n(C)n1
InChIInChI=1S/C7H13N5/c1-5-4-6(11-12(5)3)10-7(8)9-2/h4H,1-3H3,(H3,8,9,10,11)
InChIKeyRJPCDPLXSWUNCD-UHFFFAOYSA-N
XLogP0.08
TPSA68.23 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 ≤ 50.08
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-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813276
N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
CID 114253835
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide
CID 126982193
3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide
CID 114253602
N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217
3-amino-N-(1,5-dimethylpyrazol-3-yl)propanamide;4-[(1,5-dimethylpyrazol-3-yl)amino]-4-oxobutanoic acid;hydrochloride
CID 161136989
5-amino-N-(1,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide
CID 114253348
cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40641940
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030
4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 35761193

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine (CID 130496867) is 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine is C/N=C(\N)Nc1cc(C)n(C)n1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine?
The InChIKey is RJPCDPLXSWUNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-5-4-6(11-12(5)3)10-7(8)9-2/h4H,1-3H3,(H3,8,9,10,11).
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine?
1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine has a molecular weight of 167.22 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine is sourced from PubChem (CID 130496867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).