N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C17H15FN4OS — CID 110091766

IUPACN-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2csc(NC(=O)C3CC3)n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN4OS/c1-22-8-13(15(21-22)10-4-6-12(18)7-5-10)14-9-24-17(19-14)20-16(23)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,23)
InChIKeyUUMJVFIDBCZYKA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.70
Rot. Bonds4

About N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 110091766) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID110091766
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC NameN-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2csc(NC(=O)C3CC3)n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN4OS/c1-22-8-13(15(21-22)10-4-6-12(18)7-5-10)14-9-24-17(19-14)20-16(23)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,23)
InChIKeyUUMJVFIDBCZYKA-UHFFFAOYSA-N
XLogP3.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 110091766) is N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is Cn1cc(-c2csc(NC(=O)C3CC3)n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is UUMJVFIDBCZYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-22-8-13(15(21-22)10-4-6-12(18)7-5-10)14-9-24-17(19-14)20-16(23)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,23).
What are the key properties of N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110091766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).