5-amino-3-bromo-1-methylpyrazole-4-carboxamide

C5H7BrN4O — CID 118024877

IUPAC5-amino-3-bromo-1-methylpyrazole-4-carboxamide
SMILESCn1nc(Br)c(C(N)=O)c1N
InChIInChI=1S/C5H7BrN4O/c1-10-4(7)2(5(8)11)3(6)9-10/h7H2,1H3,(H2,8,11)
InChIKeyAUSJZPUIQLHLCI-UHFFFAOYSA-N
MW219.04 g/mol
LogP-0.14
Rot. Bonds1

About 5-amino-3-bromo-1-methylpyrazole-4-carboxamide

5-amino-3-bromo-1-methylpyrazole-4-carboxamide (PubChem CID 118024877) has the molecular formula C5H7BrN4O and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-amino-3-bromo-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-bromo-1-methylpyrazole-4-carboxamide
PubChem CID118024877
Molecular FormulaC5H7BrN4O
Molecular Weight219.04 g/mol
Exact Mass217.98
IUPAC Name5-amino-3-bromo-1-methylpyrazole-4-carboxamide
SMILESCn1nc(Br)c(C(N)=O)c1N
InChIInChI=1S/C5H7BrN4O/c1-10-4(7)2(5(8)11)3(6)9-10/h7H2,1H3,(H2,8,11)
InChIKeyAUSJZPUIQLHLCI-UHFFFAOYSA-N
XLogP-0.14
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-bromo-1-methylpyrazole-4-carboxamide (CID 118024877) is 5-amino-3-bromo-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-bromo-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-bromo-1-methylpyrazole-4-carboxamide is Cn1nc(Br)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-bromo-1-methylpyrazole-4-carboxamide?
The InChIKey is AUSJZPUIQLHLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O/c1-10-4(7)2(5(8)11)3(6)9-10/h7H2,1H3,(H2,8,11).
What are the key properties of 5-amino-3-bromo-1-methylpyrazole-4-carboxamide?
5-amino-3-bromo-1-methylpyrazole-4-carboxamide has a molecular weight of 219.04 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 118024877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).