5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide

C20H18ClFN4O3 — CID 43003708

IUPAC5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C20H18ClFN4O3/c1-12-17(18(21)26(25-12)14-8-4-3-5-9-14)20(28)24-23-19(27)13(2)29-16-11-7-6-10-15(16)22/h3-11,13H,1-2H3,(H,23,27)(H,24,28)
InChIKeyQHIQOUBAQUQHMP-UHFFFAOYSA-N
MW416.84 g/mol
LogP3.20
Rot. Bonds5

About 5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide

5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide (PubChem CID 43003708) has the molecular formula C20H18ClFN4O3 and a molecular weight of 416.84 g/mol. Its IUPAC name is 5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide
PubChem CID43003708
Molecular FormulaC20H18ClFN4O3
Molecular Weight416.84 g/mol
Exact Mass416.11
IUPAC Name5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C20H18ClFN4O3/c1-12-17(18(21)26(25-12)14-8-4-3-5-9-14)20(28)24-23-19(27)13(2)29-16-11-7-6-10-15(16)22/h3-11,13H,1-2H3,(H,23,27)(H,24,28)
InChIKeyQHIQOUBAQUQHMP-UHFFFAOYSA-N
XLogP3.20
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 53.20
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

5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78771628
N'-[2-(2-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46689744
(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 91645010
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 4808544
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide
CID 27568317
N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide
CID 26258595
N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide
CID 46452811
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78813095
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576178
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of 5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide (CID 43003708) is 5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for 5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)C(C)Oc1ccccc1F.
What is the InChIKey of 5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is QHIQOUBAQUQHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3/c1-12-17(18(21)26(25-12)14-8-4-3-5-9-14)20(28)24-23-19(27)13(2)29-16-11-7-6-10-15(16)22/h3-11,13H,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide?
5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 416.84 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 43003708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).