(4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride

C19H17ClFN3O2 — CID 90083048

IUPAC(4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride
SMILESCOc1ccc(Cn2ncc(/C(Cl)=N/O)c2Cc2ccccc2F)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-26-15-8-6-13(7-9-15)12-24-18(16(11-22-24)19(20)23-25)10-14-4-2-3-5-17(14)21/h2-9,11,25H,10,12H2,1H3/b23-19-
InChIKeyQQKFBLFOZHKOJX-NMWGTECJSA-N
MW373.82 g/mol
LogP4.04
Rot. Bonds6

About (4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride

(4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride (PubChem CID 90083048) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is (4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride.

Molecular Properties

Compound Name(4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride
PubChem CID90083048
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name(4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride
SMILESCOc1ccc(Cn2ncc(/C(Cl)=N/O)c2Cc2ccccc2F)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-26-15-8-6-13(7-9-15)12-24-18(16(11-22-24)19(20)23-25)10-14-4-2-3-5-17(14)21/h2-9,11,25H,10,12H2,1H3/b23-19-
InChIKeyQQKFBLFOZHKOJX-NMWGTECJSA-N
XLogP4.04
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
{4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol
CID 16190591
2-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}isoxazolidine
CID 16191137
1-[3-[4-(2-Methylpyrazol-3-yl)phenoxy]propyl]piperidine
CID 56661468
(5S)-1-(4-fluorophenyl)-1'-(4-methoxyphenyl)spiro[4H-indazole-5,6'-cyclohexene]
CID 155538097
2-[3,4-bis(4-methoxyphenyl)-1H-pyrazol-1-yl]-1-ethanol
CID 1480554
2-[[1-(2-Cyanoethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 2389775

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride?
The IUPAC name of (4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride (CID 90083048) is (4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride.
What is the SMILES notation for (4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride?
The canonical SMILES for (4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride is COc1ccc(Cn2ncc(/C(Cl)=N/O)c2Cc2ccccc2F)cc1.
What is the InChIKey of (4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride?
The InChIKey is QQKFBLFOZHKOJX-NMWGTECJSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-26-15-8-6-13(7-9-15)12-24-18(16(11-22-24)19(20)23-25)10-14-4-2-3-5-17(14)21/h2-9,11,25H,10,12H2,1H3/b23-19-.
What are the key properties of (4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride?
(4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride has a molecular weight of 373.82 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-[(2-fluorophenyl)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboximidoyl chloride is sourced from PubChem (CID 90083048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).