N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C15H10Cl2N4O2 — CID 3843823

IUPACN-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)c(Cl)c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H10Cl2N4O2/c16-10-4-3-9(6-11(10)17)8-18-21-15(22)13-7-12(19-20-13)14-2-1-5-23-14/h1-8H,(H,19,20)(H,21,22)
InChIKeySMQCGFKTPABRIL-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.74
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 3843823) has the molecular formula C15H10Cl2N4O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID3843823
Molecular FormulaC15H10Cl2N4O2
Molecular Weight349.18 g/mol
Exact Mass348.02
IUPAC NameN-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)c(Cl)c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H10Cl2N4O2/c16-10-4-3-9(6-11(10)17)8-18-21-15(22)13-7-12(19-20-13)14-2-1-5-23-14/h1-8H,(H,19,20)(H,21,22)
InChIKeySMQCGFKTPABRIL-UHFFFAOYSA-N
XLogP3.74
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.74
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-[(E)-(3-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6862104
5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6862082
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
5-(furan-2-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135684708
5-(5-chlorothiophen-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6866999
5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5395130
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6092910
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6862386
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
3-(4-chlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6091820
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 3843823) is N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is O=C(NN=Cc1ccc(Cl)c(Cl)c1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is SMQCGFKTPABRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2/c16-10-4-3-9(6-11(10)17)8-18-21-15(22)13-7-12(19-20-13)14-2-1-5-23-14/h1-8H,(H,19,20)(H,21,22).
What are the key properties of N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 349.18 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 3843823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).