4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide

C18H17FN4OS — CID 135521407

IUPAC4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
SMILESCCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
InChIInChI=1S/C18H17FN4OS/c1-3-15-11(2)25-10-16(15)18(24)23-21-9-13-8-20-22-17(13)12-4-6-14(19)7-5-12/h4-10H,3H2,1-2H3,(H,20,22)(H,23,24)/b21-9+
InChIKeyVSZVQVNTYDWDHD-ZVBGSRNCSA-N
MW356.43 g/mol
LogP3.91
Rot. Bonds5

About 4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide

4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide (PubChem CID 135521407) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
PubChem CID135521407
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
SMILESCCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C
InChIInChI=1S/C18H17FN4OS/c1-3-15-11(2)25-10-16(15)18(24)23-21-9-13-8-20-22-17(13)12-4-6-14(19)7-5-12/h4-10H,3H2,1-2H3,(H,20,22)(H,23,24)/b21-9+
InChIKeyVSZVQVNTYDWDHD-ZVBGSRNCSA-N
XLogP3.91
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.91
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-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]-1-benzothiophene-3-carboxamide
CID 135621581
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-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylpyrrole-2-carboxamide
CID 3716226
N-[(E)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-1-carboxamide
CID 135621574
N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135647508
3-bromo-N-[(Z)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135892470
4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135892472
2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 1014831
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 936705

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide?
The IUPAC name of 4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide (CID 135521407) is 4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide is CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C.
What is the InChIKey of 4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide?
The InChIKey is VSZVQVNTYDWDHD-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-3-15-11(2)25-10-16(15)18(24)23-21-9-13-8-20-22-17(13)12-4-6-14(19)7-5-12/h4-10H,3H2,1-2H3,(H,20,22)(H,23,24)/b21-9+.
What are the key properties of 4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide?
4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 135521407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).