4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide

C13H15BrN4O — CID 82762231

IUPAC4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cc(C)ccc2Br)n1
InChIInChI=1S/C13H15BrN4O/c1-3-18-7-10(15)12(17-18)13(19)16-11-6-8(2)4-5-9(11)14/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyQTYUAVYXKUJBKH-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.81
Rot. Bonds3

About 4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide

4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 82762231) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID82762231
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cc(C)ccc2Br)n1
InChIInChI=1S/C13H15BrN4O/c1-3-18-7-10(15)12(17-18)13(19)16-11-6-8(2)4-5-9(11)14/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyQTYUAVYXKUJBKH-UHFFFAOYSA-N
XLogP2.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 107624222
4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 102852362
4-amino-N-(5-bromo-2-chlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65358030
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
CID 65358599
4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide
CID 114931708
4-amino-N-(2,3-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65357898
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 65358840
4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19620454
4-amino-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65469816
4-amino-1-ethyl-N-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 65359038
4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82816028

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide (CID 82762231) is 4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2cc(C)ccc2Br)n1.
What is the InChIKey of 4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is QTYUAVYXKUJBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-3-18-7-10(15)12(17-18)13(19)16-11-6-8(2)4-5-9(11)14/h4-7H,3,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide?
4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 82762231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).