4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide

C14H17BrN4O2 — CID 65357007

IUPAC4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1c(C)cc(Br)cc1OC
InChIInChI=1S/C14H17BrN4O2/c1-4-19-13(10(16)7-17-19)14(20)18-12-8(2)5-9(15)6-11(12)21-3/h5-7H,4,16H2,1-3H3,(H,18,20)
InChIKeyONMYLZZSNRUACS-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.82
Rot. Bonds4

About 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide

4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 65357007) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide
PubChem CID65357007
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1c(C)cc(Br)cc1OC
InChIInChI=1S/C14H17BrN4O2/c1-4-19-13(10(16)7-17-19)14(20)18-12-8(2)5-9(15)6-11(12)21-3/h5-7H,4,16H2,1-3H3,(H,18,20)
InChIKeyONMYLZZSNRUACS-UHFFFAOYSA-N
XLogP2.82
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide (CID 65357007) is 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)Nc1c(C)cc(Br)cc1OC.
What is the InChIKey of 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is ONMYLZZSNRUACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-4-19-13(10(16)7-17-19)14(20)18-12-8(2)5-9(15)6-11(12)21-3/h5-7H,4,16H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide?
4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 65357007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).