N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide

C15H11BrFN3OS — CID 1244282

IUPACN-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccccc2F)cc1Br)c1cccs1
InChIInChI=1S/C15H11BrFN3OS/c16-11-9-20(8-10-4-1-2-5-12(10)17)19-14(11)18-15(21)13-6-3-7-22-13/h1-7,9H,8H2,(H,18,19,21)
InChIKeyBOXQHIMHGVHSHY-UHFFFAOYSA-N
MW380.24 g/mol
LogP4.15
Rot. Bonds4

About N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide

N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 1244282) has the molecular formula C15H11BrFN3OS and a molecular weight of 380.24 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID1244282
Molecular FormulaC15H11BrFN3OS
Molecular Weight380.24 g/mol
Exact Mass378.98
IUPAC NameN-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccccc2F)cc1Br)c1cccs1
InChIInChI=1S/C15H11BrFN3OS/c16-11-9-20(8-10-4-1-2-5-12(10)17)19-14(11)18-15(21)13-6-3-7-22-13/h1-7,9H,8H2,(H,18,19,21)
InChIKeyBOXQHIMHGVHSHY-UHFFFAOYSA-N
XLogP4.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide (CID 1244282) is N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide is O=C(Nc1nn(Cc2ccccc2F)cc1Br)c1cccs1.
What is the InChIKey of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is BOXQHIMHGVHSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3OS/c16-11-9-20(8-10-4-1-2-5-12(10)17)19-14(11)18-15(21)13-6-3-7-22-13/h1-7,9H,8H2,(H,18,19,21).
What are the key properties of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1244282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).