5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide

C17H19FN6O2 — CID 171130993

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NN=Cc3c(C)nn(C)c3F)o2)n1
InChIInChI=1S/C17H19FN6O2/c1-10-7-11(2)24(21-10)9-13-5-6-15(26-13)17(25)20-19-8-14-12(3)22-23(4)16(14)18/h5-8H,9H2,1-4H3,(H,20,25)
InChIKeyKTQBPGRDAUSQKS-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.09
Rot. Bonds5

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide (PubChem CID 171130993) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
PubChem CID171130993
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NN=Cc3c(C)nn(C)c3F)o2)n1
InChIInChI=1S/C17H19FN6O2/c1-10-7-11(2)24(21-10)9-13-5-6-15(26-13)17(25)20-19-8-14-12(3)22-23(4)16(14)18/h5-8H,9H2,1-4H3,(H,20,25)
InChIKeyKTQBPGRDAUSQKS-UHFFFAOYSA-N
XLogP2.09
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.09
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

(E,4Z)-2,3-dichloro-4-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]hydrazinylidene]but-2-enoic acid
CID 6210426
5-[(2,4-dimethylphenoxy)methyl]-N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 119055968
5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 124842745
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19467753
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 4770745
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19466107
sodium 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
CID 19616340
N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 4694399
N-cyclopentyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19466000
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
4-bromo-N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]benzamide
CID 119055885
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide
CID 1009184

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide (CID 171130993) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)NN=Cc3c(C)nn(C)c3F)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is KTQBPGRDAUSQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2/c1-10-7-11(2)24(21-10)9-13-5-6-15(26-13)17(25)20-19-8-14-12(3)22-23(4)16(14)18/h5-8H,9H2,1-4H3,(H,20,25).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 171130993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).