N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide

C11H10Br2N4O — CID 114022797

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
SMILESNc1[nH]ncc1CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H10Br2N4O/c12-8-1-6(2-9(13)3-8)11(18)15-4-7-5-16-17-10(7)14/h1-3,5H,4H2,(H,15,18)(H3,14,16,17)
InChIKeyXVBQKWDKKANXOB-UHFFFAOYSA-N
MW374.04 g/mol
LogP2.45
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide (PubChem CID 114022797) has the molecular formula C11H10Br2N4O and a molecular weight of 374.04 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
PubChem CID114022797
Molecular FormulaC11H10Br2N4O
Molecular Weight374.04 g/mol
Exact Mass371.92
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
SMILESNc1[nH]ncc1CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H10Br2N4O/c12-8-1-6(2-9(13)3-8)11(18)15-4-7-5-16-17-10(7)14/h1-3,5H,4H2,(H,15,18)(H3,14,16,17)
InChIKeyXVBQKWDKKANXOB-UHFFFAOYSA-N
XLogP2.45
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.04
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide
CID 80537776
3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896384
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 79531339
N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 79531188
N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 79529850
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79530883
N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide
CID 79531497
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide
CID 79531317

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide (CID 114022797) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide is Nc1[nH]ncc1CNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide?
The InChIKey is XVBQKWDKKANXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O/c12-8-1-6(2-9(13)3-8)11(18)15-4-7-5-16-17-10(7)14/h1-3,5H,4H2,(H,15,18)(H3,14,16,17).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide has a molecular weight of 374.04 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide is sourced from PubChem (CID 114022797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).