4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide

C9H9BrN4OS — CID 891968

IUPAC4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1nccs1
InChIInChI=1S/C9H9BrN4OS/c1-2-14-7(6(10)5-12-14)8(15)13-9-11-3-4-16-9/h3-5H,2H2,1H3,(H,11,13,15)
InChIKeyFGMMGKGQLPUUFV-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.37
Rot. Bonds3

About 4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide

4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 891968) has the molecular formula C9H9BrN4OS and a molecular weight of 301.17 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
PubChem CID891968
Molecular FormulaC9H9BrN4OS
Molecular Weight301.17 g/mol
Exact Mass299.97
IUPAC Name4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1nccs1
InChIInChI=1S/C9H9BrN4OS/c1-2-14-7(6(10)5-12-14)8(15)13-9-11-3-4-16-9/h3-5H,2H2,1H3,(H,11,13,15)
InChIKeyFGMMGKGQLPUUFV-UHFFFAOYSA-N
XLogP2.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide (CID 891968) is 4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1nccs1.
What is the InChIKey of 4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is FGMMGKGQLPUUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4OS/c1-2-14-7(6(10)5-12-14)8(15)13-9-11-3-4-16-9/h3-5H,2H2,1H3,(H,11,13,15).
What are the key properties of 4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 301.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 891968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).