3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide

C10H10FN5O — CID 3592853

IUPAC3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide
SMILESNNC(=O)c1c(N)n[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN5O/c11-6-3-1-5(2-4-6)8-7(10(17)14-13)9(12)16-15-8/h1-4H,13H2,(H,14,17)(H3,12,15,16)
InChIKeyDCYRIZYHBCUDOA-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.40
Rot. Bonds2

About 3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide

3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide (PubChem CID 3592853) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide
PubChem CID3592853
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC Name3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide
SMILESNNC(=O)c1c(N)n[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN5O/c11-6-3-1-5(2-4-6)8-7(10(17)14-13)9(12)16-15-8/h1-4H,13H2,(H,14,17)(H3,12,15,16)
InChIKeyDCYRIZYHBCUDOA-UHFFFAOYSA-N
XLogP0.40
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide (CID 3592853) is 3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide is NNC(=O)c1c(N)n[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide?
The InChIKey is DCYRIZYHBCUDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c11-6-3-1-5(2-4-6)8-7(10(17)14-13)9(12)16-15-8/h1-4H,13H2,(H,14,17)(H3,12,15,16).
What are the key properties of 3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide?
3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide has a molecular weight of 235.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 3592853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).