N'-hydroxy-1H-pyrazole-5-carboximidamide

C4H6N4O — CID 135813755

IUPACN'-hydroxy-1H-pyrazole-5-carboximidamide
SMILESN/C(=N\O)c1ccn[nH]1
InChIInChI=1S/C4H6N4O/c5-4(8-9)3-1-2-6-7-3/h1-2,9H,(H2,5,8)(H,6,7)
InChIKeyUUZMGTQUFPWZJN-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.50
Rot. Bonds1

About N'-hydroxy-1H-pyrazole-5-carboximidamide

N'-hydroxy-1H-pyrazole-5-carboximidamide (PubChem CID 135813755) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is N'-hydroxy-1H-pyrazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1H-pyrazole-5-carboximidamide
PubChem CID135813755
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC NameN'-hydroxy-1H-pyrazole-5-carboximidamide
SMILESN/C(=N\O)c1ccn[nH]1
InChIInChI=1S/C4H6N4O/c5-4(8-9)3-1-2-6-7-3/h1-2,9H,(H2,5,8)(H,6,7)
InChIKeyUUZMGTQUFPWZJN-UHFFFAOYSA-N
XLogP-0.50
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.50
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methylpyrazole
CID 15073
5-ethynyl-1H-pyrazole
CID 54014389
5-(1H-pyrazol-3-yl)-1H-tetrazole
CID 21660892
1H-Pyrazole-5-carbothioamide
CID 18669479
1H-pyrazole-3-carboximidamide hydrochloride
CID 135741955
1-(1H-Pyrazol-5-yl)methanamine
CID 7147653
3-Methyl(1-~2~H)-1H-pyrazole
CID 135052774
5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
CID 54594263
Iodomethyl pyrazole
CID 53801985
3-(nitromethyl)-1H-pyrazole
CID 129812582
5-deuterio-3-methyl-1H-pyrazole
CID 134910111
1H-Pyrazole-3-carboxaldehyde,oxime(9ci)
CID 135410106

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1H-pyrazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-1H-pyrazole-5-carboximidamide (CID 135813755) is N'-hydroxy-1H-pyrazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1H-pyrazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1H-pyrazole-5-carboximidamide is N/C(=N\O)c1ccn[nH]1.
What is the InChIKey of N'-hydroxy-1H-pyrazole-5-carboximidamide?
The InChIKey is UUZMGTQUFPWZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-4(8-9)3-1-2-6-7-3/h1-2,9H,(H2,5,8)(H,6,7).
What are the key properties of N'-hydroxy-1H-pyrazole-5-carboximidamide?
N'-hydroxy-1H-pyrazole-5-carboximidamide has a molecular weight of 126.12 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1H-pyrazole-5-carboximidamide is sourced from PubChem (CID 135813755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).