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

C10H11BrN4OS — CID 66120072

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C10H11BrN4OS/c1-3-15-7(4-6(2)14-15)9(16)13-10-12-5-8(11)17-10/h4-5H,3H2,1-2H3,(H,12,13,16)
InChIKeyYVCIARKYTXZNAL-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.68
Rot. Bonds3

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

N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 66120072) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID66120072
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C10H11BrN4OS/c1-3-15-7(4-6(2)14-15)9(16)13-10-12-5-8(11)17-10/h4-5H,3H2,1-2H3,(H,12,13,16)
InChIKeyYVCIARKYTXZNAL-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 N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 66120072) is N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is YVCIARKYTXZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-3-15-7(4-6(2)14-15)9(16)13-10-12-5-8(11)17-10/h4-5H,3H2,1-2H3,(H,12,13,16).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-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 N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 66120072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).