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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Related Compounds

N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide
CID 61362161
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
N-amino-2-chloro-N'-phenylfuran-3-carboximidamide
CID 106689536
1,5-dimethyl-4-prop-1-en-2-ylpyrazole
CID 58550088
[(Z)-[amino(phenyl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19289965
N-amino-5-bromo-N'-phenylfuran-2-carboximidamide
CID 61363316
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
2-(1,5-dimethylpyrazol-4-yl)aniline
CID 66096169
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
(2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 105101862
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770
2-[3-(1,5-dimethylpyrazol-4-yl)-3-oxoprop-1-enyl]benzoic acid
CID 71833557

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).