4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide

C13H15BrN4O — CID 66123080

IUPAC4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1ccccc1Br
InChIInChI=1S/C13H15BrN4O/c1-3-18-12(11(15)8(2)17-18)13(19)16-10-7-5-4-6-9(10)14/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyKDXXPSWTNATGOB-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.81
Rot. Bonds3

About 4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide

4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 66123080) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID66123080
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1ccccc1Br
InChIInChI=1S/C13H15BrN4O/c1-3-18-12(11(15)8(2)17-18)13(19)16-10-7-5-4-6-9(10)14/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyKDXXPSWTNATGOB-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-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123274
4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide
CID 66124650
4-amino-N-(2,3-difluorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66124065
4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123476
4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
CID 66123324
4-amino-1-ethyl-3-methyl-N-(3-methyl-4-pyridinyl)pyrazole-5-carboxamide
CID 66124484
4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide
CID 75537904
4-amino-N-(3-bromo-5-methoxyphenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 82859171
4-amino-1-ethyl-N-(4-methoxy-3-methylphenyl)-3-methylpyrazole-5-carboxamide
CID 66123117
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 154148009
4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide
CID 66123079
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide (CID 66123080) is 4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)Nc1ccccc1Br.
What is the InChIKey of 4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is KDXXPSWTNATGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-3-18-12(11(15)8(2)17-18)13(19)16-10-7-5-4-6-9(10)14/h4-7H,3,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide?
4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-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-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66123080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).