N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide

C16H14FN5O — CID 3716226

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NN=Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H14FN5O/c1-22-8-2-3-14(22)16(23)21-19-10-12-9-18-20-15(12)11-4-6-13(17)7-5-11/h2-10H,1H3,(H,18,20)(H,21,23)
InChIKeyGMFBAFHDKKWGAF-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.32
Rot. Bonds4

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide (PubChem CID 3716226) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide
PubChem CID3716226
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NN=Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H14FN5O/c1-22-8-2-3-14(22)16(23)21-19-10-12-9-18-20-15(12)11-4-6-13(17)7-5-11/h2-10H,1H3,(H,18,20)(H,21,23)
InChIKeyGMFBAFHDKKWGAF-UHFFFAOYSA-N
XLogP2.32
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.32
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-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
CID 136728466
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 136728460
4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135685168
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
2-methyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrazole-3-carboxamide
CID 135621577
4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135892472
4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
CID 135521407
N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135647508
N-[(E)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-2-carboxamide
CID 135621572
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 936705
4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135517068
3-bromo-N-[(Z)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135892470

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide (CID 3716226) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NN=Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide?
The InChIKey is GMFBAFHDKKWGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-22-8-2-3-14(22)16(23)21-19-10-12-9-18-20-15(12)11-4-6-13(17)7-5-11/h2-10H,1H3,(H,18,20)(H,21,23).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 3716226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).