N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide

C10H9FN4OS — CID 100612662

IUPACN-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N/N=C\c2ccc(F)s2)n1
InChIInChI=1S/C10H9FN4OS/c1-15-5-4-8(14-15)10(16)13-12-6-7-2-3-9(11)17-7/h2-6H,1H3,(H,13,16)/b12-6-
InChIKeyIBMSUBQLWZYSAT-SDQBBNPISA-N
MW252.27 g/mol
LogP1.38
Rot. Bonds3

About N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide

N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide (PubChem CID 100612662) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
PubChem CID100612662
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC NameN-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N/N=C\c2ccc(F)s2)n1
InChIInChI=1S/C10H9FN4OS/c1-15-5-4-8(14-15)10(16)13-12-6-7-2-3-9(11)17-7/h2-6H,1H3,(H,13,16)/b12-6-
InChIKeyIBMSUBQLWZYSAT-SDQBBNPISA-N
XLogP1.38
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide (CID 100612662) is N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N/N=C\c2ccc(F)s2)n1.
What is the InChIKey of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The InChIKey is IBMSUBQLWZYSAT-SDQBBNPISA-N. The full InChI is InChI=1S/C10H9FN4OS/c1-15-5-4-8(14-15)10(16)13-12-6-7-2-3-9(11)17-7/h2-6H,1H3,(H,13,16)/b12-6-.
What are the key properties of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide?
N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 100612662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).