N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide

C7H11N3O2 — CID 28742914

IUPACN-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NO
InChIInChI=1S/C7H11N3O2/c1-4-6(7(11)9-12)5(2)10(3)8-4/h12H,1-3H3,(H,9,11)
InChIKeyFEKABQUTEVJXOE-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.16
Rot. Bonds1

About N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide

N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 28742914) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID28742914
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NO
InChIInChI=1S/C7H11N3O2/c1-4-6(7(11)9-12)5(2)10(3)8-4/h12H,1-3H3,(H,9,11)
InChIKeyFEKABQUTEVJXOE-UHFFFAOYSA-N
XLogP0.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide (CID 28742914) is N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NO.
What is the InChIKey of N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is FEKABQUTEVJXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-6(7(11)9-12)5(2)10(3)8-4/h12H,1-3H3,(H,9,11).
What are the key properties of N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide?
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 169.18 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 28742914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).