N-hydroxy-N-(1H-pyrazol-5-yl)formamide

C4H5N3O2 — CID 175417985

IUPACN-hydroxy-N-(1H-pyrazol-5-yl)formamide
SMILESO=CN(O)c1ccn[nH]1
InChIInChI=1S/C4H5N3O2/c8-3-7(9)4-1-2-5-6-4/h1-3,9H,(H,5,6)
InChIKeyCCSDLWRCKLQVPK-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.24
Rot. Bonds2

About N-hydroxy-N-(1H-pyrazol-5-yl)formamide

N-hydroxy-N-(1H-pyrazol-5-yl)formamide (PubChem CID 175417985) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is N-hydroxy-N-(1H-pyrazol-5-yl)formamide.

Molecular Properties

Compound NameN-hydroxy-N-(1H-pyrazol-5-yl)formamide
PubChem CID175417985
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC NameN-hydroxy-N-(1H-pyrazol-5-yl)formamide
SMILESO=CN(O)c1ccn[nH]1
InChIInChI=1S/C4H5N3O2/c8-3-7(9)4-1-2-5-6-4/h1-3,9H,(H,5,6)
InChIKeyCCSDLWRCKLQVPK-UHFFFAOYSA-N
XLogP-0.24
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-hydroxy-N-(1H-pyrazol-5-yl)formamide?
The IUPAC name of N-hydroxy-N-(1H-pyrazol-5-yl)formamide (CID 175417985) is N-hydroxy-N-(1H-pyrazol-5-yl)formamide.
What is the SMILES notation for N-hydroxy-N-(1H-pyrazol-5-yl)formamide?
The canonical SMILES for N-hydroxy-N-(1H-pyrazol-5-yl)formamide is O=CN(O)c1ccn[nH]1.
What is the InChIKey of N-hydroxy-N-(1H-pyrazol-5-yl)formamide?
The InChIKey is CCSDLWRCKLQVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c8-3-7(9)4-1-2-5-6-4/h1-3,9H,(H,5,6).
What are the key properties of N-hydroxy-N-(1H-pyrazol-5-yl)formamide?
N-hydroxy-N-(1H-pyrazol-5-yl)formamide has a molecular weight of 127.10 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(1H-pyrazol-5-yl)formamide is sourced from PubChem (CID 175417985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).