N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C16H13BrN4O2 — CID 6092910

IUPACN-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O2/c1-10(11-4-6-12(17)7-5-11)18-21-16(22)14-9-13(19-20-14)15-3-2-8-23-15/h2-9H,1H3,(H,19,20)(H,21,22)/b18-10-
InChIKeyLMNMSTKGXTUXIO-ZDLGFXPLSA-N
MW373.21 g/mol
LogP3.59
Rot. Bonds4

About N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 6092910) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID6092910
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O2/c1-10(11-4-6-12(17)7-5-11)18-21-16(22)14-9-13(19-20-14)15-3-2-8-23-15/h2-9H,1H3,(H,19,20)(H,21,22)/b18-10-
InChIKeyLMNMSTKGXTUXIO-ZDLGFXPLSA-N
XLogP3.59
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5395130
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6106656
5-(furan-2-yl)-N-[1-(3-nitrophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 4224828
5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 3669463
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6862104
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 3622195
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6077693
5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6862082
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5399764
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 6092910) is N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is LMNMSTKGXTUXIO-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-10(11-4-6-12(17)7-5-11)18-21-16(22)14-9-13(19-20-14)15-3-2-8-23-15/h2-9H,1H3,(H,19,20)(H,21,22)/b18-10-.
What are the key properties of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6092910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).