3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide

C11H10BrFN4O — CID 64524304

IUPAC3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2cc(F)ccc2Br)[nH]n1
InChIInChI=1S/C11H10BrFN4O/c12-8-2-1-7(13)3-6(8)5-15-11(18)9-4-10(14)17-16-9/h1-4H,5H2,(H,15,18)(H3,14,16,17)
InChIKeyQJOFKUUNCCVQLD-UHFFFAOYSA-N
MW313.13 g/mol
LogP1.82
Rot. Bonds3

About 3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide

3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524304) has the molecular formula C11H10BrFN4O and a molecular weight of 313.13 g/mol. Its IUPAC name is 3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID64524304
Molecular FormulaC11H10BrFN4O
Molecular Weight313.13 g/mol
Exact Mass312.00
IUPAC Name3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2cc(F)ccc2Br)[nH]n1
InChIInChI=1S/C11H10BrFN4O/c12-8-2-1-7(13)3-6(8)5-15-11(18)9-4-10(14)17-16-9/h1-4H,5H2,(H,15,18)(H3,14,16,17)
InChIKeyQJOFKUUNCCVQLD-UHFFFAOYSA-N
XLogP1.82
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524798
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide
CID 63978201
5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide
CID 62954591
3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 64523070
4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide
CID 65358559
5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
CID 61139839
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 54902515
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548854

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide (CID 64524304) is 3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCc2cc(F)ccc2Br)[nH]n1.
What is the InChIKey of 3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is QJOFKUUNCCVQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O/c12-8-2-1-7(13)3-6(8)5-15-11(18)9-4-10(14)17-16-9/h1-4H,5H2,(H,15,18)(H3,14,16,17).
What are the key properties of 3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 313.13 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).