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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Related Compounds

3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135992006
4,5-Diphenyl-1,2-dihydropyrazolo[3,4-c]pyridazin-3-one
CID 5715152
4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 3116416
3-Amino-1,5-dihydro-6-phenyl-4H-pyrazolo[4,3-c]pyridin-4-one
CID 136099224
3-(4-fluorophenyl)-1H-pyrazole-5-carbohydrazide
CID 4737210
4-Carboxamido-3-phenylpyrazol-5-yl-thiourea
CID 13166440
3-amino-5-phenyl-1H-pyrazole-4-carboxamide
CID 14775202
[3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 24861476
1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone
CID 54513158
3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 57458967
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 57459001
3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 57464661

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).