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

C10H11BrN4OS — CID 831994

IUPAC4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C10H11BrN4OS/c1-3-15-8(7(11)5-13-15)9(16)14-10-12-4-6(2)17-10/h4-5H,3H2,1-2H3,(H,12,14,16)
InChIKeyKKDWZHGVYHQLIP-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.68
Rot. Bonds3

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

4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 831994) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
PubChem CID831994
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C10H11BrN4OS/c1-3-15-8(7(11)5-13-15)9(16)14-10-12-4-6(2)17-10/h4-5H,3H2,1-2H3,(H,12,14,16)
InChIKeyKKDWZHGVYHQLIP-UHFFFAOYSA-N
XLogP2.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.68
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-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (CID 831994) is 4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1ncc(C)s1.
What is the InChIKey of 4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is KKDWZHGVYHQLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-3-15-8(7(11)5-13-15)9(16)14-10-12-4-6(2)17-10/h4-5H,3H2,1-2H3,(H,12,14,16).
What are the key properties of 4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.68, 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-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 831994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).