4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide

C10H10BrN5O — CID 114047380

IUPAC4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1nc(-n2cc(N)c(C(N)=O)n2)ccc1Br
InChIInChI=1S/C10H10BrN5O/c1-5-6(11)2-3-8(14-5)16-4-7(12)9(15-16)10(13)17/h2-4H,12H2,1H3,(H2,13,17)
InChIKeyKARKXHRFYUTWPR-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.02
Rot. Bonds2

About 4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide

4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 114047380) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID114047380
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1nc(-n2cc(N)c(C(N)=O)n2)ccc1Br
InChIInChI=1S/C10H10BrN5O/c1-5-6(11)2-3-8(14-5)16-4-7(12)9(15-16)10(13)17/h2-4H,12H2,1H3,(H2,13,17)
InChIKeyKARKXHRFYUTWPR-UHFFFAOYSA-N
XLogP1.02
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 114047380) is 4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide is Cc1nc(-n2cc(N)c(C(N)=O)n2)ccc1Br.
What is the InChIKey of 4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is KARKXHRFYUTWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c1-5-6(11)2-3-8(14-5)16-4-7(12)9(15-16)10(13)17/h2-4H,12H2,1H3,(H2,13,17).
What are the key properties of 4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 296.13 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 114047380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).