4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

C13H15BrN4O — CID 66123415

IUPAC4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCc2ccccc2Br)c1N
InChIInChI=1S/C13H15BrN4O/c1-8-11(15)12(18(2)17-8)13(19)16-7-9-5-3-4-6-10(9)14/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyGDZLHEGFLKLCHB-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.00
Rot. Bonds3

About 4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66123415) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66123415
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCc2ccccc2Br)c1N
InChIInChI=1S/C13H15BrN4O/c1-8-11(15)12(18(2)17-8)13(19)16-7-9-5-3-4-6-10(9)14/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyGDZLHEGFLKLCHB-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66125184
4-amino-N-[(4-bromothiophen-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123050
4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107596248
4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
CID 66124755
4-amino-N-[2-(2-methoxyethyl)phenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 102903117
4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 66123978
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
CID 66120847
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61401810
4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 105057664
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687471

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (CID 66123415) is 4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCc2ccccc2Br)c1N.
What is the InChIKey of 4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is GDZLHEGFLKLCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-8-11(15)12(18(2)17-8)13(19)16-7-9-5-3-4-6-10(9)14/h3-6H,7,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.00, 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)methyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66123415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).