4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide

C14H17BrN4O2 — CID 66125524

IUPAC4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C14H17BrN4O2/c1-7-5-9(15)6-10(21-4)12(7)17-14(20)13-11(16)8(2)18-19(13)3/h5-6H,16H2,1-4H3,(H,17,20)
InChIKeyOTNWUJZCOUDRNB-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.64
Rot. Bonds3

About 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66125524) 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)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66125524
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C14H17BrN4O2/c1-7-5-9(15)6-10(21-4)12(7)17-14(20)13-11(16)8(2)18-19(13)3/h5-6H,16H2,1-4H3,(H,17,20)
InChIKeyOTNWUJZCOUDRNB-UHFFFAOYSA-N
XLogP2.64
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.64
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)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 66125524) is 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide is COc1cc(Br)cc(C)c1NC(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is OTNWUJZCOUDRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-7-5-9(15)6-10(21-4)12(7)17-14(20)13-11(16)8(2)18-19(13)3/h5-6H,16H2,1-4H3,(H,17,20).
What are the key properties of 4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 2.64, 3 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)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66125524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).