4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide

C11H12BrN3OS — CID 17025005

IUPAC4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1ccnn1C)C(=O)c1cc(Br)cs1
InChIInChI=1S/C11H12BrN3OS/c1-14(6-9-3-4-13-15(9)2)11(16)10-5-8(12)7-17-10/h3-5,7H,6H2,1-2H3
InChIKeyMEJKAAVIKDNYTG-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.52
Rot. Bonds3

About 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide

4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 17025005) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID17025005
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1ccnn1C)C(=O)c1cc(Br)cs1
InChIInChI=1S/C11H12BrN3OS/c1-14(6-9-3-4-13-15(9)2)11(16)10-5-8(12)7-17-10/h3-5,7H,6H2,1-2H3
InChIKeyMEJKAAVIKDNYTG-UHFFFAOYSA-N
XLogP2.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide (CID 17025005) is 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide is CN(Cc1ccnn1C)C(=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is MEJKAAVIKDNYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-14(6-9-3-4-13-15(9)2)11(16)10-5-8(12)7-17-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 314.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 17025005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).