5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide

C10H10BrN3OS — CID 35280212

IUPAC5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCCn1cc(NC(=O)c2csc(Br)c2)cn1
InChIInChI=1S/C10H10BrN3OS/c1-2-14-5-8(4-12-14)13-10(15)7-3-9(11)16-6-7/h3-6H,2H2,1H3,(H,13,15)
InChIKeyCVBGMIFMVHDLRU-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.98
Rot. Bonds3

About 5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide

5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide (PubChem CID 35280212) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide
PubChem CID35280212
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCCn1cc(NC(=O)c2csc(Br)c2)cn1
InChIInChI=1S/C10H10BrN3OS/c1-2-14-5-8(4-12-14)13-10(15)7-3-9(11)16-6-7/h3-6H,2H2,1H3,(H,13,15)
InChIKeyCVBGMIFMVHDLRU-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide (CID 35280212) is 5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide is CCn1cc(NC(=O)c2csc(Br)c2)cn1.
What is the InChIKey of 5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide?
The InChIKey is CVBGMIFMVHDLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-2-14-5-8(4-12-14)13-10(15)7-3-9(11)16-6-7/h3-6H,2H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide?
5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide has a molecular weight of 300.18 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 35280212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).