1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide

C12H13FN4O — CID 91871685

IUPAC1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide
SMILESCCn1nc(C(=O)NN)cc1-c1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c1-2-17-11(7-10(16-17)12(18)15-14)8-3-5-9(13)6-4-8/h3-7H,2,14H2,1H3,(H,15,18)
InChIKeyCMSUUONOAPWNTQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.31
Rot. Bonds3

About 1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide

1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide (PubChem CID 91871685) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide
PubChem CID91871685
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide
SMILESCCn1nc(C(=O)NN)cc1-c1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c1-2-17-11(7-10(16-17)12(18)15-14)8-3-5-9(13)6-4-8/h3-7H,2,14H2,1H3,(H,15,18)
InChIKeyCMSUUONOAPWNTQ-UHFFFAOYSA-N
XLogP1.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
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

5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
CID 91872233
1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide
CID 177375928
1-benzyl-5-phenylpyrazole-3-carbohydrazide
CID 91871673
5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46104950
5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 46104896
1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 45037411
ethyl 5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872783
5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
CID 91871518
1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 91871470
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-5-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 98639545
1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104836
ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
CID 91872759

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide?
The IUPAC name of 1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide (CID 91871685) is 1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide is CCn1nc(C(=O)NN)cc1-c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide?
The InChIKey is CMSUUONOAPWNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-2-17-11(7-10(16-17)12(18)15-14)8-3-5-9(13)6-4-8/h3-7H,2,14H2,1H3,(H,15,18).
What are the key properties of 1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide?
1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide has a molecular weight of 248.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 91871685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).