5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride

C8H13BrClN5O — CID 162738738

IUPAC5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1c(Br)nn([C@H]2CCNC2)c1N
InChIInChI=1S/C8H12BrN5O.ClH/c9-6-5(8(11)15)7(10)14(13-6)4-1-2-12-3-4;/h4,12H,1-3,10H2,(H2,11,15);1H/t4-;/m0./s1
InChIKeyWJHJSNYLLCFLHB-WCCKRBBISA-N
MW310.58 g/mol
LogP0.28
Rot. Bonds2

About 5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride

5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 162738738) has the molecular formula C8H13BrClN5O and a molecular weight of 310.58 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
PubChem CID162738738
Molecular FormulaC8H13BrClN5O
Molecular Weight310.58 g/mol
Exact Mass309.00
IUPAC Name5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1c(Br)nn([C@H]2CCNC2)c1N
InChIInChI=1S/C8H12BrN5O.ClH/c9-6-5(8(11)15)7(10)14(13-6)4-1-2-12-3-4;/h4,12H,1-3,10H2,(H2,11,15);1H/t4-;/m0./s1
InChIKeyWJHJSNYLLCFLHB-WCCKRBBISA-N
XLogP0.28
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride (CID 162738738) is 5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride is Cl.NC(=O)c1c(Br)nn([C@H]2CCNC2)c1N.
What is the InChIKey of 5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is WJHJSNYLLCFLHB-WCCKRBBISA-N. The full InChI is InChI=1S/C8H12BrN5O.ClH/c9-6-5(8(11)15)7(10)14(13-6)4-1-2-12-3-4;/h4,12H,1-3,10H2,(H2,11,15);1H/t4-;/m0./s1.
What are the key properties of 5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 310.58 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 162738738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).