3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide

C18H23FN4O3 — CID 87011046

IUPAC3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C18H23FN4O3/c1-11(26-13-8-6-12(19)7-9-13)16(24)20-21-17(25)14-10-15(18(2,3)4)22-23(14)5/h6-11H,1-5H3,(H,20,24)(H,21,25)
InChIKeyVGTIEKDUSBQGLA-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.09
Rot. Bonds4

About 3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide

3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide (PubChem CID 87011046) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide
PubChem CID87011046
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C18H23FN4O3/c1-11(26-13-8-6-12(19)7-9-13)16(24)20-21-17(25)14-10-15(18(2,3)4)22-23(14)5/h6-11H,1-5H3,(H,20,24)(H,21,25)
InChIKeyVGTIEKDUSBQGLA-UHFFFAOYSA-N
XLogP2.09
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279589
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide
CID 7965154
3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide
CID 78894033
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide?
The IUPAC name of 3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide (CID 87011046) is 3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide.
What is the SMILES notation for 3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide?
The canonical SMILES for 3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of 3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide?
The InChIKey is VGTIEKDUSBQGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-11(26-13-8-6-12(19)7-9-13)16(24)20-21-17(25)14-10-15(18(2,3)4)22-23(14)5/h6-11H,1-5H3,(H,20,24)(H,21,25).
What are the key properties of 3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide?
3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide has a molecular weight of 362.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide is sourced from PubChem (CID 87011046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).