N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide

C20H18F2N4O3 — CID 46584217

IUPACN'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H18F2N4O3/c1-12-18(11-23-26(12)16-7-3-14(21)4-8-16)20(28)25-24-19(27)13(2)29-17-9-5-15(22)6-10-17/h3-11,13H,1-2H3,(H,24,27)(H,25,28)
InChIKeyNVSJFZRBIWTCOU-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.69
Rot. Bonds5

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

N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide (PubChem CID 46584217) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
PubChem CID46584217
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC NameN'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H18F2N4O3/c1-12-18(11-23-26(12)16-7-3-14(21)4-8-16)20(28)25-24-19(27)13(2)29-17-9-5-15(22)6-10-17/h3-11,13H,1-2H3,(H,24,27)(H,25,28)
InChIKeyNVSJFZRBIWTCOU-UHFFFAOYSA-N
XLogP2.69
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.69
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

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 46407895
(2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119368921
2-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119170322
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446
(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide
CID 51959268
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 46587133
N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 134014767
(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
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide (CID 46584217) is N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide is Cc1c(C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
The InChIKey is NVSJFZRBIWTCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-12-18(11-23-26(12)16-7-3-14(21)4-8-16)20(28)25-24-19(27)13(2)29-17-9-5-15(22)6-10-17/h3-11,13H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide has a molecular weight of 400.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 46584217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).