N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C15H11BrN4O2 — CID 6862104

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H11BrN4O2/c16-11-4-1-3-10(7-11)9-17-20-15(21)13-8-12(18-19-13)14-5-2-6-22-14/h1-9H,(H,18,19)(H,20,21)/b17-9+
InChIKeyPVTDXRCLOQIFGM-RQZCQDPDSA-N
MW359.18 g/mol
LogP3.20
Rot. Bonds4

About N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 6862104) has the molecular formula C15H11BrN4O2 and a molecular weight of 359.18 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID6862104
Molecular FormulaC15H11BrN4O2
Molecular Weight359.18 g/mol
Exact Mass358.01
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H11BrN4O2/c16-11-4-1-3-10(7-11)9-17-20-15(21)13-8-12(18-19-13)14-5-2-6-22-14/h1-9H,(H,18,19)(H,20,21)/b17-9+
InChIKeyPVTDXRCLOQIFGM-RQZCQDPDSA-N
XLogP3.20
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.20
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

N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 3843823
5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6862082
5-(furan-2-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135684708
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6092910
5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5395130
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
N-[(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 2048137
5-(furan-2-yl)-N'-(1H-pyrrole-2-carbonyl)-1H-pyrazole-3-carbohydrazide
CID 78848489
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 3669463
5-(5-methylfuran-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5402591

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 6862104) is N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is PVTDXRCLOQIFGM-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H11BrN4O2/c16-11-4-1-3-10(7-11)9-17-20-15(21)13-8-12(18-19-13)14-5-2-6-22-14/h1-9H,(H,18,19)(H,20,21)/b17-9+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 359.18 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6862104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).