N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C16H13BrN4O2 — CID 5433198

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(N/N=C\c1ccc(Br)cc1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H13BrN4O2/c17-13-4-2-12(3-5-13)10-18-20-16(22)15-7-6-14(23-15)11-21-9-1-8-19-21/h1-10H,11H2,(H,20,22)/b18-10-
InChIKeyHNMDBQUDQYTEPV-ZDLGFXPLSA-N
MW373.21 g/mol
LogP3.05
Rot. Bonds5

About N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 5433198) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID5433198
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(N/N=C\c1ccc(Br)cc1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H13BrN4O2/c17-13-4-2-12(3-5-13)10-18-20-16(22)15-7-6-14(23-15)11-21-9-1-8-19-21/h1-10H,11H2,(H,20,22)/b18-10-
InChIKeyHNMDBQUDQYTEPV-ZDLGFXPLSA-N
XLogP3.05
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-2-furamide
CID 1022956
5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 3259634
5-bromo-N'-[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]furan-2-carbohydrazide
CID 6880083
N-(4-bromo-2-methylphenyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
CID 1017805
4-bromo-1-{[5-(1H-pyrazol-1-ylcarbonyl)-2-furyl]methyl}-1H-pyrazole
CID 892503
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N'-(2,3,4,5,6-pentafluorobenzylidene)-2-furohydrazide
CID 6873479
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N'-[4-(dimethylamino)benzylidene]-2-furohydrazide
CID 6874059
N-[3-(N-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}ethanehydrazonoyl)phenyl]-2-methylpropanamide
CID 9617645
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furohydrazide
CID 840891
5-({4-nitro-1H-pyrazol-1-yl}methyl)-N'-(2-methyl-3-phenyl-2-propenylidene)-2-furohydrazide
CID 6874667
N'-(3-chlorobenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5410785
N'-(2-methylbenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5410818

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 5433198) is N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is O=C(N/N=C\c1ccc(Br)cc1)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is HNMDBQUDQYTEPV-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-13-4-2-12(3-5-13)10-18-20-16(22)15-7-6-14(23-15)11-21-9-1-8-19-21/h1-10H,11H2,(H,20,22)/b18-10-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 5433198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).