N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide

C12H15N5 — CID 61363136

IUPACN-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide
SMILESCc1c(/C(=N/c2ccccc2)NN)cnn1C
InChIInChI=1S/C12H15N5/c1-9-11(8-14-17(9)2)12(16-13)15-10-6-4-3-5-7-10/h3-8H,13H2,1-2H3,(H,15,16)
InChIKeyXSOYEELSQKWYHL-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.27
Rot. Bonds2

About N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide

N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide (PubChem CID 61363136) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide.

Molecular Properties

Compound NameN-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide
PubChem CID61363136
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide
SMILESCc1c(/C(=N/c2ccccc2)NN)cnn1C
InChIInChI=1S/C12H15N5/c1-9-11(8-14-17(9)2)12(16-13)15-10-6-4-3-5-7-10/h3-8H,13H2,1-2H3,(H,15,16)
InChIKeyXSOYEELSQKWYHL-UHFFFAOYSA-N
XLogP1.27
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide?
The IUPAC name of N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide (CID 61363136) is N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide.
What is the SMILES notation for N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide?
The canonical SMILES for N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide is Cc1c(/C(=N/c2ccccc2)NN)cnn1C.
What is the InChIKey of N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide?
The InChIKey is XSOYEELSQKWYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-9-11(8-14-17(9)2)12(16-13)15-10-6-4-3-5-7-10/h3-8H,13H2,1-2H3,(H,15,16).
What are the key properties of N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide?
N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide has a molecular weight of 229.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide is sourced from PubChem (CID 61363136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).