N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide

C17H16F2N6O2 — CID 124846456

IUPACN-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1nn(C)c(F)c1/C=N\NC(=O)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H16F2N6O2/c1-11-14(16(19)24(2)22-11)9-20-21-17(26)15-7-8-25(23-15)10-27-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,21,26)/b20-9-
InChIKeyIUWVTSOIXSWLAK-UKWGHVSLSA-N
MW374.35 g/mol
LogP2.00
Rot. Bonds6

About N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide

N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 124846456) has the molecular formula C17H16F2N6O2 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID124846456
Molecular FormulaC17H16F2N6O2
Molecular Weight374.35 g/mol
Exact Mass374.13
IUPAC NameN-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1nn(C)c(F)c1/C=N\NC(=O)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H16F2N6O2/c1-11-14(16(19)24(2)22-11)9-20-21-17(26)15-7-8-25(23-15)10-27-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,21,26)/b20-9-
InChIKeyIUWVTSOIXSWLAK-UKWGHVSLSA-N
XLogP2.00
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 119055917
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide
CID 171131026
N-(4-ethylphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269256
4-bromo-N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]benzamide
CID 119055885
N-(3-ethoxypropyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269479
N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-pyrrol-1-ylbenzamide
CID 124854830
1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide
CID 19269231
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 119055807
1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269246
N-(2,6-dichlorophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269237
4-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]butanoyl chloride
CID 19269295
[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 35326018

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide (CID 124846456) is N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide is Cc1nn(C)c(F)c1/C=N\NC(=O)c1ccn(COc2ccc(F)cc2)n1.
What is the InChIKey of N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is IUWVTSOIXSWLAK-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H16F2N6O2/c1-11-14(16(19)24(2)22-11)9-20-21-17(26)15-7-8-25(23-15)10-27-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,21,26)/b20-9-.
What are the key properties of N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 374.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 124846456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).