4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide

C5H8FN4O+ — CID 168849038

IUPAC4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide
SMILESC[n+]1[nH]cc(F)c1C(=O)NN
InChIInChI=1S/C5H7FN4O/c1-10-4(5(11)9-7)3(6)2-8-10/h2H,1H3,(H3,7,8,9,11)/p+1
InChIKeyCGDYXXNADMVQCF-UHFFFAOYSA-O
MW159.14 g/mol
LogP-1.42
Rot. Bonds1

About 4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide

4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide (PubChem CID 168849038) has the molecular formula C5H8FN4O+ and a molecular weight of 159.14 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide.

Molecular Properties

Compound Name4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide
PubChem CID168849038
Molecular FormulaC5H8FN4O+
Molecular Weight159.14 g/mol
Exact Mass159.07
IUPAC Name4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide
SMILESC[n+]1[nH]cc(F)c1C(=O)NN
InChIInChI=1S/C5H7FN4O/c1-10-4(5(11)9-7)3(6)2-8-10/h2H,1H3,(H3,7,8,9,11)/p+1
InChIKeyCGDYXXNADMVQCF-UHFFFAOYSA-O
XLogP-1.42
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide?
The IUPAC name of 4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide (CID 168849038) is 4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide.
What is the SMILES notation for 4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide?
The canonical SMILES for 4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide is C[n+]1[nH]cc(F)c1C(=O)NN.
What is the InChIKey of 4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide?
The InChIKey is CGDYXXNADMVQCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7FN4O/c1-10-4(5(11)9-7)3(6)2-8-10/h2H,1H3,(H3,7,8,9,11)/p+1.
What are the key properties of 4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide?
4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide has a molecular weight of 159.14 g/mol, XLogP of -1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1H-pyrazol-2-ium-3-carbohydrazide is sourced from PubChem (CID 168849038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).