1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine

C8H15N5O — CID 131008226

IUPAC1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine
SMILESC/N=C(\NC)NCc1cc(=O)n(C)[nH]1
InChIInChI=1S/C8H15N5O/c1-9-8(10-2)11-5-6-4-7(14)13(3)12-6/h4,12H,5H2,1-3H3,(H2,9,10,11)
InChIKeyZBSDEUCSNBCPAU-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.99
Rot. Bonds2

About 1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine

1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine (PubChem CID 131008226) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine
PubChem CID131008226
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine
SMILESC/N=C(\NC)NCc1cc(=O)n(C)[nH]1
InChIInChI=1S/C8H15N5O/c1-9-8(10-2)11-5-6-4-7(14)13(3)12-6/h4,12H,5H2,1-3H3,(H2,9,10,11)
InChIKeyZBSDEUCSNBCPAU-UHFFFAOYSA-N
XLogP-0.99
TPSA74.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine (CID 131008226) is 1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine is C/N=C(\NC)NCc1cc(=O)n(C)[nH]1.
What is the InChIKey of 1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine?
The InChIKey is ZBSDEUCSNBCPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-9-8(10-2)11-5-6-4-7(14)13(3)12-6/h4,12H,5H2,1-3H3,(H2,9,10,11).
What are the key properties of 1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine?
1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine has a molecular weight of 197.24 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine is sourced from PubChem (CID 131008226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).