phenyl 5-aminopyrazole-1-carboximidate

C10H10N4O — CID 14905367

IUPACphenyl 5-aminopyrazole-1-carboximidate
SMILES[H]/N=C(/Oc1ccccc1)n1nccc1N
InChIInChI=1S/C10H10N4O/c11-9-6-7-13-14(9)10(12)15-8-4-2-1-3-5-8/h1-7,12H,11H2/b12-10+
InChIKeyFYMGANAVSYLIEQ-ZRDIBKRKSA-N
MW202.22 g/mol
LogP1.33
Rot. Bonds1

About phenyl 5-aminopyrazole-1-carboximidate

phenyl 5-aminopyrazole-1-carboximidate (PubChem CID 14905367) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is phenyl 5-aminopyrazole-1-carboximidate.

Molecular Properties

Compound Namephenyl 5-aminopyrazole-1-carboximidate
PubChem CID14905367
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Namephenyl 5-aminopyrazole-1-carboximidate
SMILES[H]/N=C(/Oc1ccccc1)n1nccc1N
InChIInChI=1S/C10H10N4O/c11-9-6-7-13-14(9)10(12)15-8-4-2-1-3-5-8/h1-7,12H,11H2/b12-10+
InChIKeyFYMGANAVSYLIEQ-ZRDIBKRKSA-N
XLogP1.33
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-aminopyrazole-1-carboximidamide;hydrochloride
CID 19382651
2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone
CID 110837869
phenyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate
CID 19833954
phenoxymethanimidoyl chloride
CID 148665652
phenyl 4-(4-nitrophenyl)piperazine-1-carboximidate
CID 89218444
3-phenoxypyrazine-2-carboximidamide
CID 62683537
diphenoxyphosphane chloride
CID 19706010
5-phenylpyrazole-1-carboxylic acid
CID 175297488
O-phenyl iodomethanethioate
CID 145496288
2-(4-phenoxyphenoxy)ethanimidamide
CID 24695247
4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide
CID 175255406
1-[5-[(1R)-1-phenoxyethyl]pyrazol-1-yl]ethanone
CID 7032172

Frequently Asked Questions

What is the IUPAC name of phenyl 5-aminopyrazole-1-carboximidate?
The IUPAC name of phenyl 5-aminopyrazole-1-carboximidate (CID 14905367) is phenyl 5-aminopyrazole-1-carboximidate.
What is the SMILES notation for phenyl 5-aminopyrazole-1-carboximidate?
The canonical SMILES for phenyl 5-aminopyrazole-1-carboximidate is [H]/N=C(/Oc1ccccc1)n1nccc1N.
What is the InChIKey of phenyl 5-aminopyrazole-1-carboximidate?
The InChIKey is FYMGANAVSYLIEQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H10N4O/c11-9-6-7-13-14(9)10(12)15-8-4-2-1-3-5-8/h1-7,12H,11H2/b12-10+.
What are the key properties of phenyl 5-aminopyrazole-1-carboximidate?
phenyl 5-aminopyrazole-1-carboximidate has a molecular weight of 202.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-aminopyrazole-1-carboximidate is sourced from PubChem (CID 14905367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).