5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide

C11H11BrN4O — CID 83240770

IUPAC5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Cc2ccc(Br)cc2)c1N
InChIInChI=1S/C11H11BrN4O/c12-8-3-1-7(2-4-8)6-16-10(13)9(5-15-16)11(14)17/h1-5H,6,13H2,(H2,14,17)
InChIKeyMKURXBNHMDHAPE-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.38
Rot. Bonds3

About 5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide

5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 83240770) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide
PubChem CID83240770
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Cc2ccc(Br)cc2)c1N
InChIInChI=1S/C11H11BrN4O/c12-8-3-1-7(2-4-8)6-16-10(13)9(5-15-16)11(14)17/h1-5H,6,13H2,(H2,14,17)
InChIKeyMKURXBNHMDHAPE-UHFFFAOYSA-N
XLogP1.38
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide (CID 83240770) is 5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide is NC(=O)c1cnn(Cc2ccc(Br)cc2)c1N.
What is the InChIKey of 5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is MKURXBNHMDHAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-8-3-1-7(2-4-8)6-16-10(13)9(5-15-16)11(14)17/h1-5H,6,13H2,(H2,14,17).
What are the key properties of 5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide?
5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-bromophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 83240770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).