4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide

C14H15BrN4O2 — CID 75537904

IUPAC4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2ccccc2Br)c1C(N)=O
InChIInChI=1S/C14H15BrN4O2/c1-3-19-12(13(16)20)11(8(2)18-19)17-14(21)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeyWERCACPQWDZAGB-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.33
Rot. Bonds4

About 4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide

4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 75537904) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID75537904
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2ccccc2Br)c1C(N)=O
InChIInChI=1S/C14H15BrN4O2/c1-3-19-12(13(16)20)11(8(2)18-19)17-14(21)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeyWERCACPQWDZAGB-UHFFFAOYSA-N
XLogP2.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide (CID 75537904) is 4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(NC(=O)c2ccccc2Br)c1C(N)=O.
What is the InChIKey of 4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is WERCACPQWDZAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-3-19-12(13(16)20)11(8(2)18-19)17-14(21)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H2,16,20)(H,17,21).
What are the key properties of 4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide?
4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 75537904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).