5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide

C7H10BrN5O — CID 162380805

IUPAC5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide
SMILESNC(=O)c1c(Br)nn(C2CNC2)c1N
InChIInChI=1S/C7H10BrN5O/c8-5-4(7(10)14)6(9)13(12-5)3-1-11-2-3/h3,11H,1-2,9H2,(H2,10,14)
InChIKeyWUQVUUQZGSILIU-UHFFFAOYSA-N
MW260.09 g/mol
LogP-0.53
Rot. Bonds2

About 5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide

5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide (PubChem CID 162380805) has the molecular formula C7H10BrN5O and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide
PubChem CID162380805
Molecular FormulaC7H10BrN5O
Molecular Weight260.09 g/mol
Exact Mass259.01
IUPAC Name5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide
SMILESNC(=O)c1c(Br)nn(C2CNC2)c1N
InChIInChI=1S/C7H10BrN5O/c8-5-4(7(10)14)6(9)13(12-5)3-1-11-2-3/h3,11H,1-2,9H2,(H2,10,14)
InChIKeyWUQVUUQZGSILIU-UHFFFAOYSA-N
XLogP-0.53
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide (CID 162380805) is 5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide is NC(=O)c1c(Br)nn(C2CNC2)c1N.
What is the InChIKey of 5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide?
The InChIKey is WUQVUUQZGSILIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN5O/c8-5-4(7(10)14)6(9)13(12-5)3-1-11-2-3/h3,11H,1-2,9H2,(H2,10,14).
What are the key properties of 5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide?
5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide has a molecular weight of 260.09 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide is sourced from PubChem (CID 162380805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).