1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide

C9H8BrN5O — CID 64780351

IUPAC1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ncc(Br)cc2N)n1
InChIInChI=1S/C9H8BrN5O/c10-5-3-6(11)9(13-4-5)15-2-1-7(14-15)8(12)16/h1-4H,11H2,(H2,12,16)
InChIKeyRNOLWAUKMVOAQV-UHFFFAOYSA-N
MW282.10 g/mol
LogP0.71
Rot. Bonds2

About 1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide

1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 64780351) has the molecular formula C9H8BrN5O and a molecular weight of 282.10 g/mol. Its IUPAC name is 1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID64780351
Molecular FormulaC9H8BrN5O
Molecular Weight282.10 g/mol
Exact Mass280.99
IUPAC Name1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ncc(Br)cc2N)n1
InChIInChI=1S/C9H8BrN5O/c10-5-3-6(11)9(13-4-5)15-2-1-7(14-15)8(12)16/h1-4H,11H2,(H2,12,16)
InChIKeyRNOLWAUKMVOAQV-UHFFFAOYSA-N
XLogP0.71
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide (CID 64780351) is 1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ncc(Br)cc2N)n1.
What is the InChIKey of 1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is RNOLWAUKMVOAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O/c10-5-3-6(11)9(13-4-5)15-2-1-7(14-15)8(12)16/h1-4H,11H2,(H2,12,16).
What are the key properties of 1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide?
1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 282.10 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 64780351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).