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

C15H19BrN4O — CID 66123760

IUPAC4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(C)c2cccc(Br)c2)c1N
InChIInChI=1S/C15H19BrN4O/c1-4-12-13(17)14(20(3)19-12)15(21)18-9(2)10-6-5-7-11(16)8-10/h5-9H,4,17H2,1-3H3,(H,18,21)
InChIKeyWGJPGZDMIFVPOQ-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.82
Rot. Bonds4

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

4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66123760) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66123760
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(C)c2cccc(Br)c2)c1N
InChIInChI=1S/C15H19BrN4O/c1-4-12-13(17)14(20(3)19-12)15(21)18-9(2)10-6-5-7-11(16)8-10/h5-9H,4,17H2,1-3H3,(H,18,21)
InChIKeyWGJPGZDMIFVPOQ-UHFFFAOYSA-N
XLogP2.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124147
4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861753
(3-bromophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66118689
4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123418
4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide
CID 66122980
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55115157
4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 116812548
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66123760) is 4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NC(C)c2cccc(Br)c2)c1N.
What is the InChIKey of 4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is WGJPGZDMIFVPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-4-12-13(17)14(20(3)19-12)15(21)18-9(2)10-6-5-7-11(16)8-10/h5-9H,4,17H2,1-3H3,(H,18,21).
What are the key properties of 4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 351.25 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66123760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).