4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide

C10H11N5O — CID 175255406

IUPAC4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide
SMILES[H]/N=C(/N(O)c1ccccc1)n1cc(N)cn1
InChIInChI=1S/C10H11N5O/c11-8-6-13-14(7-8)10(12)15(16)9-4-2-1-3-5-9/h1-7,12,16H,11H2/b12-10+
InChIKeyNSBRWDVOVDUWPC-ZRDIBKRKSA-N
MW217.23 g/mol
LogP1.14
Rot. Bonds1

About 4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide

4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide (PubChem CID 175255406) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide.

Molecular Properties

Compound Name4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide
PubChem CID175255406
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide
SMILES[H]/N=C(/N(O)c1ccccc1)n1cc(N)cn1
InChIInChI=1S/C10H11N5O/c11-8-6-13-14(7-8)10(12)15(16)9-4-2-1-3-5-9/h1-7,12,16H,11H2/b12-10+
InChIKeyNSBRWDVOVDUWPC-ZRDIBKRKSA-N
XLogP1.14
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide?
The IUPAC name of 4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide (CID 175255406) is 4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide.
What is the SMILES notation for 4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide?
The canonical SMILES for 4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide is [H]/N=C(/N(O)c1ccccc1)n1cc(N)cn1.
What is the InChIKey of 4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide?
The InChIKey is NSBRWDVOVDUWPC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H11N5O/c11-8-6-13-14(7-8)10(12)15(16)9-4-2-1-3-5-9/h1-7,12,16H,11H2/b12-10+.
What are the key properties of 4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide?
4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide has a molecular weight of 217.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hydroxy-N-phenylpyrazole-1-carboximidamide is sourced from PubChem (CID 175255406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).