N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C16H13FN4O2 — CID 40713922

IUPACN-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2ccc(-c3ccc(F)cc3)o2)n[nH]1
InChIInChI=1S/C16H13FN4O2/c1-10-8-14(20-19-10)16(22)21-18-9-13-6-7-15(23-13)11-2-4-12(17)5-3-11/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9-
InChIKeyXWKWIQFLIXJNCK-NVMNQCDNSA-N
MW312.30 g/mol
LogP2.88
Rot. Bonds4

About N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 40713922) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID40713922
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC NameN-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2ccc(-c3ccc(F)cc3)o2)n[nH]1
InChIInChI=1S/C16H13FN4O2/c1-10-8-14(20-19-10)16(22)21-18-9-13-6-7-15(23-13)11-2-4-12(17)5-3-11/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9-
InChIKeyXWKWIQFLIXJNCK-NVMNQCDNSA-N
XLogP2.88
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.88
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-[[5-(3,5-dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 71951607
N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 6885502
5-tert-butyl-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5499090
5-tert-butyl-N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 1270564
ethyl 4-[5-[(Z)-[(5-tert-butyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 6278420
N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5105214
N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 126041118
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3439847
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3877288
1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2121499
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
2-chloro-5-[5-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5445831

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 40713922) is N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C\c2ccc(-c3ccc(F)cc3)o2)n[nH]1.
What is the InChIKey of N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is XWKWIQFLIXJNCK-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-10-8-14(20-19-10)16(22)21-18-9-13-6-7-15(23-13)11-2-4-12(17)5-3-11/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9-.
What are the key properties of N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 40713922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).